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Start Over You searched for: Topic quantum theory Remove constraint Topic: quantum theory Journal molecular physics Remove constraint Journal: molecular physics Publisher taylor & francis ltd Remove constraint Publisher: taylor & francis ltd
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1. Theoretic analysis of non-relativistic equation with the Varshni-Eckart potential model in cosmic string topological defects geometry and external fields for the selected diatomic molecules.

2. High-precision Ramsey-comb spectroscopy on molecular deuterium for tests of molecular quantum theory.

3. Efficient matrix factorisation of the modular path integral for extended systems.

4. Persistence of non-local correlations and quantum information theoretic measures in the thermal state of frustrated molecular wheels.

5. A friendly review of absorbing boundary conditions and perfectly matched layers for classical and relativistic quantum waves equations.

6. Buckled nano rod - a two state system and quantum effects on its dynamics using system plus reservoir model.

7. Discrete binning: correspondence limit consistent analysis of classical probabilities using faux angular momenta and multi-polar harmonic moments to give 'quantum-like' probabilities.

8. Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon-neon interatomic potential and rovibrational spectra.

9. Interacting quantum trajectories for particles with spin 1/2.

10. The mean square displacement of a ballistic quantum particle.

11. Spontaneous emission from nonhermitian perspective: complex scaling of the photon coordinates.

12. Dominique Levesque.

13. Quantum dynamics simulations in an ultraslow bath using hierarchy of stochastic Schrödinger equations.

14. The time-dependent density matrix renormalisation group method.

15. Memory propagator matrix for long-time dissipative charge transfer dynamics.

16. K -independent vibrational bases for systems with large amplitude motion.

17. 14N pulsed nuclear quadrupole resonance. 3. Effect of a pulse train. Optimal conditions for data averaging.

18. Theory of forward glory scattering for chemical reactions: new derivation of a uniform semiclassical formula for the scattering amplitude.

19. A non-equilibrium free energy theorem for deterministic systems.

20. Hybrid quantum mechanical/molecular mechanical fluctuating charge models for condensed phase simulations.

21. Determining quantum bound-state eigenvalues and eigenvectors as functions of parameters in the Hamiltonian: an efficient evolutionary approach.

22. Sparse adaptive basis set methods for solution of the time dependent Schrodinger equation.

23. Quantum polyhedra in LCAO MO theory.

24. Comment.

25. The importance of initial states in polariton simulation.

26. On the utility of momentum space in the density functional theory description of the steric effect.

27. The à A u state of acetylene: ungerade vibrational levels in the region 45,800–46,550 cm.

28. Isotope shifts and band progressions in SO2 rovibrational energy levels: using quantum theory to extract rotational constants.

29. Free energy methods in coupled electron ion Monte Carlo.

30. Confined fluids - variations on a mean spherical theme.

31. Super instruction architecture of petascale electronic structure software: the story.

32. Dynamics of electrons and nuclei.

33. Multi-reference many-body perturbation theory and coupled cluster developments.

34. QTP in the 60s: John C. Slater and the beginnings of density functional theory.

35. Working at the interface.

36. Ab initio potential energy curve for the helium atom pair and thermophysical properties of dilute helium gas. I. Helium-helium interatomic potential.

37. A mathematical and computational review of Hartree-Fock SCF methods in quantum chemistry.

38. Asymptotic energy levels of a rigid asymmetric top†.

39. S matrix poles and the second virial coefficient.

40. On the calculation of the static structure factor of path-integral quantum simple fluids far from exchange.

41. Implications of causality for quantum biology - I: topology change.

42. Wave vector, local momentum and local coordinate from the perspective of information theory.

43. Effective hamiltonian of crystal field method for periodic systems containing transition metals.

45. Note from the editor.

46. Quantum characteristics of the hydrogen bond.

47. Electron impact total and ionization cross-sections for DNA based compounds.

48. Line mixing in the water vapour transitions of the ν 1  + ν 2  + ν 3 band perturbed by helium pressure.

49. Electronic structure of tris(2-phenylpyridine)iridium: electronically excited and ionized states.

50. Dynamics of electron transfer in complex glassy environment modeled by the Cole–Davidson spectral density.