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One of the main problems in astrochemistry is determining the amount of sulfur in volatiles and refractories in the interstellar medium. The detection of the main sulfur reservoirs (icy H$_2$S and atomic gas) has been challenging, and estimates are based on the reliability of models to account for the abundances of species containing less than 1% of the total sulfur. The high sensitivity of the James Webb Space Telescope provides an unprecedented opportunity to estimate the sulfur abundance through the observation of the [S I] 25.249 $\mu$m line. We used the [S III] 18.7 $\mu$m, [S IV] 10.5 $\mu$m, and [S l] 25.249 $\mu$m lines to estimate the amount of sulfur in the ionized and molecular gas along the Orion Bar. For the theoretical part, we used an upgraded version of the Meudon photodissociation region (PDR) code to model the observations. New inelastic collision rates of neutral atomic sulfur with ortho- and para- molecular hydrogen were calculated to predict the line intensities. The [S III] 18.7 $\mu$m and [S IV] 10.5 $\mu$m lines are detected over the imaged region with a shallow increase (by a factor of 4) toward the HII region. We estimate a moderate sulfur depletion, by a factor of $\sim$2, in the ionized gas. The corrugated interface between the molecular and atomic phases gives rise to several edge-on dissociation fronts we refer to as DF1, DF2, and DF3. The [S l] 25.249 $\mu$m line is only detected toward DF2 and DF3, the dissociation fronts located farthest from the HII region. The detailed modeling of DF3 using the Meudon PDR code shows that the emission of the [S l] 25.249 $\mu$m line is coming from warm ($>$ 40 K) molecular gas located at A$_{\rm V}$ $\sim$ 1$-$5 mag from the ionization front. Moreover, the intensity of the [S l] 25.249 $\mu$m line is only accounted for if we assume the presence of undepleted sulfur., Comment: 16 pages, 6 figures. Accepted for publication in Astronomy and Astrophysics

The hyperpolarizability of an atom is a property that describes the nonlinear interaction between an atom and an external electric field leading to a higher-order Stark shift. Accurate evaluations of these coefficients for various systems are crucial to improve experimental precision in advanced atom-based clocks. However, there is a dearth of reports on atomic hyperpolarizabilities, particularly regarding relativistic hyperpolarizabilities. Thus, in this paper, we use fourth-order perturbation theory to establish a universal formula for the hyperpolarizability and calculate the relativistic hyperpolarizabilities of low-lying states for the monovalent electronic atomic systems H, Li, and Be$^+$. The highly accurate results given here for the H atom could serve as benchmarks for other theoretical methods., Comment: 12 pages; 1 figure

Using a quantum-mechanical close-coupling method, we calculate cross sections for fine structure excitation and relaxation of Si and S atoms in collisions with atomic hydrogen. Rate coefficients are calculated over a range of temperatures for astrophysical applications. We determine the temperature-dependent critical densities for the relaxation of Si and S in collisions with H and compare these to the critical densities for collisions with electrons. The present calculation should be useful in modeling environments exhibiting the [S i] 25 {\mu}m and [S i] 57 {\mu}m far-infrared emission lines or where cooling of S and Si by collisions with H are of interest., Comment: Updated table 2

Fine-structure transitions can be involved in various processes including photon absorption, charge transfer and inelastic collision between ions, electrons and neutral atoms. We present fine-structure excitation and relaxation cross sections for the collisions of the first few members of the carbon isoelectronic sequence (C, N$^+$ and O$^{2+}$) with atomic hydrogen calculated using quantum-mechanical methods. For C, the scattering theory and computational approach is verified by comparison with previous calculations. The rate coefficients for the collisional processes are obtained. For N$^+$ and O$^{2+}$, the transitions correspond to the lines [\ion{O}{iii}] 52~{\textmu}m, [\ion{O}{iii}] 88~{\textmu}m, [\ion{N}{ii}] 122~{\textmu}m, and [\ion{N}{ii}] 205~{\textmu}m, observed in the far-infrared in the local Universe and more recently in high-redshift galaxies using radio interferometry. The influence of different potentials on the cross sections and rate coefficients are demonstrated., Comment: 7 pages, 12 figures, accepted for publication in MNRAS

We report a theoretical study on the long-range additive and nonadditive potentials for a three-body hybrid atom-atom-ion system composed of one ground $S$ state Li atom, one excited $P$ state Li atom and one ground $S$ state Li$^+$ ion, Li($2\,^{2}S$)-Li($2\,^{2}P$)-Li$^+(1\,^{1}S$). The interaction coefficients are evaluated with highly accurate wave functions calculated variationally in Hylleraas coordinates. For this hybrid system the three-body nonadditive collective interactions (appearing in second-order) induced by the energy degeneracy and enhanced by the induction effect of the Li$^+$ ion through the internal electric field can be strong and even stronger than the two-body additive interactions at the same order. We find that for particular geometries the two-body additive interactions of the system sum to zero leaving only three-body nonadditive collective interactions making the present system potentially a platform to explore quantum three-body collective effects. We also extract first-principles leading coefficients of the long-range electrostatic, induction, and dispersion energies of Li$^+_2$ electronic states correlating to Li($2\,^{2}P$)-Li$^+(1\,^{1}S$), which until now were not available in the literature. The results should be especially valuable for the exploration of schemes to create trimers with ultracold atoms and ions in optical lattices.

We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$_2^+$) by the radiative association process in collisions of a C$(^3P)$ atom and a C$^+(^2P^o)$ ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$_2^+$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$_2^+$. Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about $2\times 10^{-18}$ cm$^3$/s. We provide analytical fits suitable for incorporation into astrochemical reaction databases., Comment: Accepted for publication ApJ

Fully relativistic calculations have been performed for two multiplets, $3s3p^2\;^4P$ and $3s3p4s\;^4P^o$, in Al I. Wave functions were obtained for all levels of these multiplets using the GRASP programs. Reported are the E1 transitions rates for all transitions between levels of these multiplets. Transition energies and transition rates are compared with observed values and other theory. Our calculated transition rates are smaller by about 10% than observed rates, reducing a large discrepancy between earlier calculations and experiment., Comment: Accepted for publication in Atoms

Absolute photoionization cross sections for the Rb$^{2+}$ ion were recently measured at high resolution over the energy range 37.31 eV -- 44.08~eV, with autoionizing Rydberg resonance series identified, using the photon-ion merged-beam setup at the Advanced Light Source (\textsc{als}) in Berkeley {(Macaluso D A et. al. J. Phys. B: At. Mol. Opt. Phys. {\bf 49} (2016) 235002; {\bf 50} (2017) 119501)}. Detailed photon-energy scans taken at 13.5 $\pm$ 2.5 meV bandwidth illustrated multiple Rydberg resonance series associated with the ground and metastable states. Here we present theoretical cross section results obtained using the Dirac-Coulomb $R$-matrix approximation with a detailed analysis of the resonances. The calculations were performed for the $3d^{10}4s^2 4p^5 \; {^2}{\rm P^o}_{J}$, $J=\frac{3}{2}$ ground state and the corresponding $3d^{10}4s^2 4p^5 \; {^2}{\rm P^o}_{J}$, $J=\frac{1}{2}$ metastable level. Results from the large-scale calculations are benchmarked against the \textsc{als} high-resolution measurements and reproduce the dominant resonance features in the spectra, providing confidence in the theoretical work for astrophysical applications., Comment: 15 pages, 3 figures, 4 tables. Accepted for publication in J Phys. B: At. Mol. Opt. Phys

Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C$_2$ molecules (dicarbon) during the collision of two ground state C($^3$P) atoms. We find that transitions originating in the C$\;^1\Pi_g$, d$\;^3\Pi_g$, and 1$\;^5\Pi_u$ states are the main contributors to the process. The results are compared and contrasted with previous results obtained from a semi-classical approximation. New ab initio potential curves and transition dipole moment functions have been obtained for the present work using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pCV5Z basis sets, substantially increasing the available molecular data on dicarbon. Applications of the current computations to various astrophysical environments and laboratory studies are briefly discussed focusing on these rates., Comment: Accepted ApJ

Single photoionization cross sections for Kr-like Rb$^+$ ions are reported in the energy (wavelength) range 22 eV (564 \AA) to 46 eV (270 \AA). Theoretical cross section calculations for this {\it trans}-Fe element are compared with measurements from the ASTRID radiation facility in Aarhus, Denmark and the dual laser plasma (DLP) technique, at respectively 40 meV and 35 meV FWHM energy resolution. In the photon energy region 22 - 32 eV the spectrum is dominated by excitation autoionizing resonance states. Above 32 eV the cross section exhibit classic Fano window resonances features, which are analysed and discussed. Large-scale theoretical photoionization cross-section calculations, performed using a Dirac Coulomb $R$-matrix approximation are bench marked against these high resolution experimental results. Comparison of the theoretical work with the experimental studies allowed the identification of resonance features and their parameters in the spectra in addition to contributions from excited metastable states of the Rb$^+$ ions., Comment: 8 pages, 4 figures, accepted for publication in MNRAS. arXiv admin note: text overlap with arXiv:1706.04832

In this work we present results of the dipole-dipole interactions between two neutrons, a neutron and a conducting wall, and a neutron between two walls. As input, we use dynamical electromagnetic dipole polarizabilities fitted to chiral EFT results up to the pion production threshold and at the onset of the Delta resonance. Our work can be relevant to the physics of confined ultracold neutrons inside bottles., Comment: 4 pages, 8 figures, contribution to the proceedings of the XXII International Conference on Few-Body Problems in Physics

About two generations ago, a large part of AMO science was dominated by experimental high energy collision studies and perturbative theoretical methods. Since then, AMO science has undergone a transition and is now dominated by quantum, ultracold, and ultrafast studies. But in the process, the field has passed over the complexity that lies between these two extremes. Most of the Universe resides in this intermediate region. We put forward that the next frontier for AMO science is to explore the AMO complexity that describes most of the Cosmos., Comment: White paper submission to the Decadal Assessment and Outlook Report on Atomic, Molecular, and Optical (AMO) Science (AMO 2020)

The rate coefficient for radiative charge transfer between the helium ion and an argon atom is calculated. The rate coefficient is about $10^{-14}$ cm${}^3$/s at 300 K in agreement with earlier experimental data.

Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment functions have been obtained for these computations using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pV6Z basis sets. State-resolved cross sections have been computed for transitions from nearly the full range of rovibrational levels of the X $^1\Sigma^+$ state and for photon wavelengths ranging from 500 $\text{\AA}$ to threshold. Destruction of CS via predissociation in highly excited electronic states originating from the rovibrational ground state is found to be unimportant. Photodissociation cross sections are presented for temperatures in the range between 1000 and 10,000 K, where a Boltzmann distribution of initial rovibrational levels is assumed. Applications of the current computations to various astrophysical environments are briefly discussed focusing on photodissociation rates due to the standard interstellar and blackbody radiation fields., Comment: 16 pages, 9 figures, 4 tables

We theoretically investigate long-range interactions between an excited $L$ state He atom and two identical $S$ state He atoms, for the cases of the three atoms all in spin singlet states or all in spin triplet states, denoted by He($n_0\,^{\lambda}S$)-He($n_0\,^{\lambda}S$)-He($n_0^{\prime}\,^{\lambda}L$), with $n_0$ and $n_0'$ principal quantum numbers, $\lambda=1$ or 3 the spin multiplicity, and $L$ the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients $C_3$ of the first order dipolar interactions and the coefficients $C_6$ and $C_8$ of the second order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients $C_n$ are evaluated with highly accurate variationally-generated nonrelativistic wave functions in Hylleraas coordinates for He($1\,^{1}S$)-He($1\,^{1}S$)-He($2\,^{1}S$), He${(1\,^{1}S)}$-He${(1\,^{1}S)}$-He${(2\,^{1}P)}$, He${(2\,^{1}S)}$-He${(2\,^{1}S)}$-He${(2\,^{1}P)}$, and He${(2\,^{3}S)}$-He${(2\,^{3}S)}$-He${(2\,^{3}P)}$. The calculations are given for three like-nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass $^4{}$He or $^3{}$He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases where one of the atoms is in a $P$ state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced co-linear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems., Comment: 42 pages, 10 figures. arXiv admin note: text overlap with arXiv:1608.01098

We explore the feasibility of a compact high-precision Hg atomic clock based on a hollow core optical fiber. We evaluate the sensitivity of the $^1S_0$-$^3P_0$ clock transition in Hg and other divalent atoms to the fiber inner core surface at non-zero temperatures. The Casimir-Polder interaction induced $^1S_0$-$^3P_0$ transition frequency shift is calculated for the atom inside the hollow capillary as a function of atomic position, capillary material, and geometric parameters. For $^{199}\mathrm{Hg}$ atoms on the axis of a silica capillary with inner radius $\geq 15 \,\mu \mathrm{m}$ and optimally chosen thickness $d\sim 1 \,\mu \mathrm{m}$, the atom-surface interaction induced $^1S_0$-$^3P_0$ clock transition frequency shift can be kept on the level $\delta\nu/\nu_{\mathrm{Hg}} \sim10^{-19}$. We also estimate the atom loss and heating due to the collisions with the buffer gas, lattice intensity noise induced heating, spontaneous photon scattering, and residual birefringence induced frequency shifts., Comment: 8 pages, 5 figures, submitted

The radiative association of C(${}^3P$) and H${}^+$ is investigated by calculating cross sections for photon emission into bound ro-vibrational states of CH${}^+$ from the vibrational continua of initial triplet d$\,{}^3\Pi$ or b$\,{}^3\Sigma^-$ states. Potential energy curves and transition dipole moments are calculated using multi-reference configuration interaction (MRCI) methods with AV6Z basis sets. The cross sections are evaluated using quantum-mechanical methods and rate coefficients are calculated. The rate coefficients are about 100 times larger than those for radiative association of C${}^+({}^2{P^o})$ and H from the A$\,{}^1\Pi$ state. We also confirm that the formation of CH${}^+$ by radiative association of C${}^+({}^2{P^o})$ and H via the triplet c$\,{}^3\Sigma^+$ state is a minor process., Comment: Accepted for publication in MNRAS. 7 pages, 7 figures

We investigate the long-range interactions between two neutrons utilizing recent data on the neutron static and dynamic electric and magnetic dipole polarizabilities. The resulting long-range potentials are used to make quantitative comparisons between the collisions of a neutron with a neutron and a neutron with a proton. We also assess the importance of the first pion production threshold and first excited state of the nucleon, the $\Delta$-resonance ($J^{\pi}$ = + 3/2, I = 3/2). We found both dynamical effects to be quite relevant for distances r between ~ 50 fm up to ~$10^3$ fm in the nn system, the neutron-wall system and in the wall-neutron-wall system, reaching the expected asymptotic limit beyond that. Relevance of our findings to the confinement of ultra cold neutrons inside bottles is discussed., Comment: 11 pages, 12 figures, Version to be published in the European Physical Journal A (2017)

Radiative charge exchange collisions between a carbon atom C(${}^3$P) and a helium ion He+, both in their ground state, are investigated theoretically. Detailed quantum chemistry calculations are carried out to obtain potential energy curves and transition dipole matrix elements for doublet and quartet molecular states of the HeC+ cation. Radiative charge transfer cross sections and rate coefficients are calculated and are found at thermal and lower energies to be large compared to those for direct charge transfer. The present results might be applicable to modelling the complex interplay of [C II] (or C+), C, and CO at the boundaries of interstellar photon dominated regions (PDRs) and in xray dominated regions (XDRs), where the abundance of He+ affects the abundance of CO., Comment: revised two figs., added one fig

General formulas for calculating the several leading long-range interactions among three identical atoms where two atoms are in identical $S$ states and the other atom is in a $P$ state are obtained using perturbation theory for the energies up to second order. The first order (dipolar) interactions depend on the geometrical configurations of the three atoms. In second order, additive and nonadditive dispersion interactions are obtained. The nonadditive interactions depend on the geometrical configurations in marked contrast to the case where all three atoms are in identical $S$ states, for which the nonadditive (also known as triple-dipole or as Axilrod-Muto-Teller) dispersion interactions appear at the third order. The formalism is demonstrated by the calculation of the coefficients for the Li($2\,^2S$)-Li($2\,^2S$)-Li($2\,^{2}P$) system using variationally-generated atomic lithium wave functions in Hylleraas coordinates. The present dipolar coefficients and additive and nonadditive dispersion coefficients may be useful in constructing precise potential energy surfaces for this three lithium atom system., Comment: 32 pages, 4 figures

Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition dipole moments between low lying molecular states of singlet spin symmetry for the SiO molecule. The high quality molecular data are used to obtain radiative association cross sections and rate coefficients for collisions between ground state Si and O atoms. Quantal calculations are compared with semiclassical results. Using a quantum kinetic theory of radiative association in which quasibound levels are assumed to be in local thermodynamic equilibrium, we find that resonances play an important role in enhancing the rate coefficients at low temperatures by several orders of magnitude from that predicted by standard quantum scattering formulations. These new molecular formation rates may have important implications for applications in astrophysics.

We investigate the van der Waals interaction between neutrons using the theory of Casimir and Polder, wherein the potential for asymptotically large separations falls off as the inverse seventh power, and compare it to the similar interaction between a neutron and a proton, for which the asymptotic interaction falls off as the inverse fourth power. Modifications of the formalism to extend the validity to smaller separations using dynamic electric and magnetic dipole polarizability data are discussed, Comment: 2 pages. To appear in the proceedings of the 21st International Conference on Few-Body Problems in Physics (FB21), May 2015, Chicago, USA

The dynamic electric dipole polarizability function for the magnesium atom is formed by assembling the atomic electric dipole oscillator strength distribution from combinations of theoretical and experimental data for resonance oscillator strengths and for photoionization cross sections of valence and inner shell electrons. Consistency with the oscillator strength (Thomas-Reiche-Kuhn) sum rule requires the adopted principal resonance line oscillator strength to be several percent lower than the values given in two critical tabulations, though the value adopted is consistent with a number of theoretical determinations. The static polarizability is evaluated. Comparing the resulting dynamic polarizability as a function of photon energy with more elaborate calculations reveals the contributions of inner shell electron excitations. The present results are applied to calculate the long-range interactions between two and three magnesium atoms and the interaction between a magnesium atom and a perfectly conducting metallic plate. Extensive comparisons of prior results for the principal resonance line oscillator strength, for the static polarizability, and for the van der Waals coefficient are given in an Appendix., Comment: 17 pages, 3 figures; revised Fig.3

The matrix elements and energies needed to calculate vibrational-rotational state resolved cross sections and rate coefficients for radiative association of H and p and for photodissociation of H${}_2^+$ are presented for applications to simulations of chemistry in the early Universe and to stellar atmospheres., Comment: 8 pages, 1 figure, ApJS accepted

The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calculations in the Born-Oppenheimer calculation where polarizabilities were decomposed into electronic, vibrational, and rotational contributions and where hyperpolarizabilities were determined from derivatives of energy functions. We find that the static hyperpolarizability for the ground state of HD$^+$ is seven orders of magnitude larger than the corresponding dipole polarizability. For the dipole polarizability of HD$^+$ in the first excited-state the high precision of the present method facilitates treatment of a near cancellation between two terms. For applications to laser spectroscopy of trapped ions we find tune-out and magic wavelengths for the HD$^+$ ion in a laser field. In addition, we also calculate the first few leading terms for long-range interactions of a hydrogen molecular ion interacting with a ground-state H, He, and Li atoms., Comment: 7 figures

The long-range non-additive three-body dispersion interaction coefficients $Z_{111}$, $Z_{112}$, $Z_{113}$, and $Z_{122}$ are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb) and the alkaline-earth atoms (up to Sr). The term $Z_{111}$, arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms $Z_{112}$, $Z_{113}$, and $Z_{122}$ arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as DDQ, DDO, and DQQ coefficients. Results for the four $Z$ coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data., Comment: 17 pages

The long-range interaction between two atoms and the long-range interaction between an ion and an electron are compared at small and large intersystem separations. The vacuum dressed atom formalism is applied and found to provide a framework for interpretation of the similarities between the two cases. The van der Waals forces or Casimir-Polder potentials are used to obtain insight into relativistic and higher multipolar terms., Comment: 22 pages

The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas basis set expansions and ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be$^+$ ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-$L$ Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available., Comment: 18 pp; added details to Sec. II

The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes $^6$Li and $^7$Li in the ground state $2^2S$ and the excited states $2^2P$ and $3^2D$, as well as the leading resonance and dispersion long-range coefficients for the Li($2^2S$)--Li($2^2S$) and Li($2^2S$)--Li($2^2P$) systems, are calculated nonrelativistically using variational wave functions in Hylleraas basis sets. Comparisons are made with published results, where available. We find that the value of the second hyperpolarizability of the $2^2S$ state is sensitive to the isotopic mass due to a near cancellation between two terms. For the $3^2D$ state polarizability tensor the calculated components disagree with those measured in the sole experiment and with those calculated semi-empirically., Comment: 20 pages

The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms., Comment: 16 pages

We have measured the reduced absorption coefficients occurring in the wings of the potassium 4S-5P doublet lines at 404.414 nm and at 404.720 nm broadened by helium gas at pressures of several hundred Torr. At the experimental temperature of 900 K, we have detected a shoulder-like broadening feature on the blue wing of the doublet which is relatively flat between 401.8 nm and 402.8 nm and which drops off rapidly for shorter wavelengths, corresponding to absorption from the X doublet Sigma+ state to the C doublet Sigma+ state of the K-He quasimolecule. The accurate measurements of the line profiles in the present work will sharply constrain future calculations of potential energy surfaces and transition dipole moments correlating to the asymptotes He-K(5p), He-K(5s), and He-K(3d)., Comment: 2 figures

We perform fully quantum mechanical calculations in the binary approximation of the emission and absorption profiles of the sodium $3s$-$3p$ and potassium $4s$-$4p$ resonance lines under the influence of a helium perturbing gas. We use carefully constructed potential energy surfaces and transition dipole moments to compute the emission and absorption coefficients at temperatures from 158 to 3000 K. Contributions from quasi-bound states are included. The resulting red and blue wing profiles agree well with previous theoretical calculations and with experimental measurements., Comment: 16 figures

Studies of the long-range interactions between cold atoms and surfaces are now of vital interest. The interest is partly driven by nanotechnology applications, partly by the exploding interest in the encompassing superfield of Casimir effects, and partly by the burgeoning overlap between atomic and molecular physics, condensed matter, and quantum optics. This tutorial lecture will address long-range atom-surface interactions for cold atoms, including an overview of Casimir-Polder interactions and their various manifestations. Some previous theoretical studies that are of particular relevance will be reviewed. In addition some different approaches to the problem and corresponding results, especially concerning the effects of substrate composition, geometry, and finite temperature, will be discussed., Comment: Presented at Conference on Atoms and Molecules near Surfaces, Heidelberg, April 4, 2005

Quantum mechanical calculations are performed of the emission and absorption profiles of the lithium 2s-2p resonance line under the influence of a helium perturbing gas. We use carefully constructed potential energy surfaces and transition dipole moments to compute the emission and absorption coefficients at temperatures from 200 to 3000 K at wavelengths between 500 nm and 1000 nm. Contributions from quasi-bound states are included. The resulting red and blue wing profiles are compared with previous theoretical calculations and with an experiment, carried out at a temperature of 670 K., Comment: 10 figures

Causal "superluminal" effects have recently been observed and discussed in various contexts. The question arises whether such effects could be observed with extremely weak pulses, and what would prevent the observation of an "optical tachyon." Aharonov, Reznik, and Stern (ARS) [Phys. Rev. Lett., vol. 81, 2190 (1998)] have argued that quantum noise will preclude the observation of a superluminal group velocity when the pulse consists of one or a few photons. In this paper we reconsider this question both in a general framework and in the specific example, suggested by Chiao, Kozhekin, and Kurizki [Phys. Rev. Lett., vol. 77, 1254 (1996)], of off-resonant, short-pulse propagation in an optical amplifier. We derive in the case of the amplifier a signal-to-noise ratio that is consistent with the general ARS conclusions when we impose their criteria for distinguishing between superluminal propagation and propagation at the speed c. However, results consistent with the semiclassical arguments of CKK are obtained if weaker criteria are imposed, in which case the signal can exceed the noise without being "exponentially large." We show that the quantum fluctuations of the field considered by ARS are closely related to superfluorescence noise. More generally we consider the implications of unitarity for superluminal propagation and quantum noise and study, in addition to the complete and truncated wavepackets considered by ARS, the residual wavepacket formed by their difference. This leads to the conclusion that the noise is mostly luminal and delayed with respect to the superluminal signal. In the limit of a very weak incident signal pulse, the superluminal signal will be dominated by the noise part, and the signal-to-noise ratio will therefore be very small., Comment: 30 pages, 1 figure, epsf

The dispersion coefficients $C_6$, $C_8$, and $C_{10}$ for the interactions between H, He, and Li are calculated using variational wave functions in Hylleraas basis sets with multiple exponential scale factors. With these highly correlated wave functions, significant improvements are made upon previous calculations and our results provide definitive values for these coefficients., Comment: RevTeX, 24 pages

The nuclear spin--rotation interaction in the hyperfine structure of the hydrogen molecular ion is investigated. The interaction constants are determined and are found to differ in sign and magnitude compared to another theory, but they are in agreement with some values derived from experiment., Comment: RevTeX, 8 pages, no figures