250 results on '"Adhikari, Satrajit"'
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2. On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K.
3. Photoelectron spectra of benzene: Can path dependent diabatic surfaces provide unique observables?
4. Trajectory surface hopping vs. quantum scattering calculations on D+ + H2 and H + [formula omitted] reactions using ab initio surfaces and couplings
5. Formulation of temperature dependent effective Hartree potential incorporating quadratic over linear molecular DOFs-surface modes couplings and its effect on quantum dynamics of D2 (v = 0, j = 0)/D2 (v = 0, j = 2) on Cu(111) metal surface
6. Coupled three-dimensional quantum mechanical wave packet study of proton transfer in H2+ + He collisions on accurate ab initio two-state diabatic potential energy surfaces.
7. Beyond Born-Oppenheimer Treatment for Multi-State Photoelectron Spectra, Phase Transitions of Solids and Scattering Processes.
8. Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface.
9. A beyond Born-Oppenheimer treatment of five state molecular system [formula omitted] and the photodetachment spectra of its anion
10. Non-adiabatic coupling as a frictional force in the formation of H3+: a model dynamical study
11. Curl condition: Existence of sub‐Hilbert space for molecular species or chemical processes.
12. Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface.
13. A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation.
14. Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction.
15. The excited states of K3 cluster: The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix
16. Beyond Born–Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH2+.
17. Conical intersections between [formula omitted] and [formula omitted] electronic states of [formula omitted]
18. Cubic perturbed centrifugally stabilized excited state in orthorhombic manganites.
19. Conical intersections and nonadiabatic coupling terms in 1,3,5-C6H3F3+: A six state beyond Born-Oppenheimer treatment.
20. Derivation of diabatic potentials for F + H 2 employing non-adiabatic coupling terms
21. Conical intersections in 2 2E ′ states of Na 3 cluster
22. Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C4N2H4).
23. A treatise on the interaction of molecular systems with short-pulsed highly-intense external fields
24. The multistate multimode vibronically coupled nuclear dynamics of monofluorobenzene radical cation using a parallelized TDDVR approach
25. A quantum-classical simulation of a multi-surface multi-mode nuclear dynamics on $ {\rm C_{6}H}_{6}^{+} $ incorporating degeneracy among electronic states
26. Vibrational excitation resulting from electron capture in LUMO of F2 and HCl – A treatment using the time-dependent wave packet approach#
27. A quantum-classical simulation of the nuclear dynamics in NO2− and C6H6+ with realistic model Hamiltonian
28. Accurate Calculation of Rate Constant and Isotope Effect for the F + H2 Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the Newly Constructed Ab Initio Ground Potential Energy Surface.
29. Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the 2Π CO− shape resonance
30. Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach.
31. The effect of cluster environment on a chemical reaction
32. Jahn–Teller Effect in Orthorhombic Manganites: Ab Initio Hamiltonian and Roto-vibrational Spectrum.
33. Matrix representation of vector potential: DVR and TDDVR formulations and dynamics
34. Beyond Born–Oppenheimer based diabatic surfaces of 1,3,5-C6H3F3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach.
35. Topological Studies related to Molecular Systems formed soon after the Big Bang: HeH2+ as the Precursor for HeH+
36. Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion.
37. Time-dependent Fourier grid Hamiltonian method for modelling real-time quantum dynamics: Theoretical models and applications
38. A quantum-classical treatment of non-adiabatic transitions
39. Dynamical calculations of O(3P) + OH(2Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates.
40. Enhancing the branching ratios in the dissociation channels for O16O16O18 molecule by designing optimum laser pulses: A study using stochastic optimization.
41. Low-temperature D+ + H2 reaction: A time-dependent coupled wave-packet study in hyperspherical coordinates.
42. Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3+.
43. Non-adiabatic coupling as a frictional force in (He, H, H)+ dynamics and the formation of HeH2+.
44. The role of electron–nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions.
45. The geometric phase effect in chemical reactions
46. The time-dependent discrete variable representation method in molecular dynamics
47. Non-adiabatic coupling and conical intersection(s) between potential energy surfaces for HeH2+.
48. Surface temperature effect on the scattering of D2(v = 0, j = 0)-Cu(111) system.
49. Dressed adiabatic and diabatic potentials to study conical intersections for F + H2.
50. Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and nuclear dynamics.
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