Beyond Born–Oppenheimer theory for spectroscopic and scattering processes B Mukherjee, K Naskar, S Mukherjee, S Ghosh, T Sahoo, S Adhikari International Reviews in Physical Chemistry 38 (3-4), 287-341, 2019 | 46 | 2019 |
ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “N” Dimensional Sub-Hilbert Space K Naskar, S Mukherjee, B Mukherjee, S Ravi, S Mukherjee, S Sardar, ... Journal of Chemical Theory and Computation 16 (3), 1666-1680, 2020 | 30 | 2020 |
The role of electron–nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions J Dutta, S Mukherjee, K Naskar, S Ghosh, B Mukherjee, S Ravi, ... Physical Chemistry Chemical Physics 22 (47), 27496-27524, 2020 | 20 | 2020 |
A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation S Mukherjee, S Ravi, K Naskar, S Sardar, S Adhikari The Journal of Chemical Physics 154 (9), 2021 | 15 | 2021 |
Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F+ H2 reaction B Mukherjee, K Naskar, S Mukherjee, S Ravi, KR Shamasundar, ... The Journal of Chemical Physics 153 (17), 2020 | 15 | 2020 |
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 K Naskar, S Ghosh, S Adhikari, M Baer, N Sathyamurthy The Journal of Chemical Physics 159 (3), 2023 | 9 | 2023 |
Beyond Born–Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH2+ K Naskar, S Ravi, S Adhikari, M Baer, N Sathyamurthy The Journal of Physical Chemistry A 127 (17), 3832-3847, 2023 | 7 | 2023 |
Effect of surface temperature on quantum dynamics of D2 on Cu (111) using a chemically accurate potential energy surface J Dutta, K Naskar, S Adhikari, J Meyer, MF Somers The Journal of Chemical Physics 157 (19), 2022 | 4 | 2022 |
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 … K Naskar, S Ghosh, S Adhikari The Journal of Physical Chemistry A 126 (21), 3311-3328, 2022 | 4 | 2022 |
Coupled 3D (J ≥ 0) Time-Dependent Wave Packet Calculation for the F + H2 Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces K Naskar, S Mukherjee, S Ghosh, S Adhikari The Journal of Physical Chemistry A 128 (8), 1438-1456, 2024 | 2 | 2024 |
Curl condition: Existence of sub‐Hilbert space for molecular species or chemical processes MK Sah, S Mukherjee, K Naskar, S Hazra, S Adhikari International Journal of Quantum Chemistry 123 (22), e27212, 2023 | 2 | 2023 |
Photoelectron spectra of benzene: Can path dependent diabatic surfaces provide unique observables? MK Sah, S Mukherjee, S Saha, K Naskar, S Adhikari The Journal of Chemical Physics 159 (24), 2023 | | 2023 |
Effect of surface temperature on quantum dynamics of D J Dutta, K Naskar, S Adhikari | | 2022 |