Items where Author is "Ravi, Satyam"

Baer, Michael ; Mukherjee, Soumya ; Ravi, Satyam ; Adhikari, Satrajit ; Sathyamurthy, Narayanasami (2024) The quantum mechanical non-adiabatic coupling term as friction in the formation of DH₂⁺ Advances in Quantum Chemistry, 89 . pp. 291-304. ISSN 0065-3276

Naskar, Koushik ; Ravi, Satyam ; Adhikari, Satrajit ; Baer, Michael ; Sathyamurthy, Narayanasami (2023) Beyond Born–Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH₂⁺ The Journal of Physical Chemistry A, 127 (17). pp. 3832-3847. ISSN 1089-5639

Hazra, Saikat ; Mukherjee, Soumya ; Ravi, Satyam ; Sardar, Subhankar ; Adhikari, Satrajit (2022) Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C₄N₂H₄) ChemPhysChem, 23 (23). ISSN 1439-4235

Dutta, Joy ; Ravi, Satyam ; Mukherjee, Soumya ; Ojha, Avik Kumar ; Adhikari, Satrajit (2022) Jahn-Teller Effect in Orthorhombic Manganites: Ab Initio Hamiltonian and Roto-vibrational Spectrum The Journal of Physical Chemistry A, 126 (5). pp. 691-709. ISSN 1089-5639

Ravi, Satyam ; Mukherjee, Soumya ; Mukherjee, Bijit ; Adhikari, Satrajit ; Sathyamurthy, Narayanasami ; Baer, Michael (2021) Non-adiabatic coupling as a frictional force in (He, H, H)⁺dynamics and the formation of HeH₂⁺ Molecular Physics, 119 (4). e1811907. ISSN 0026-8976

Mukherjee, Soumya ; Ravi, Satyam ; Naskar, Koushik ; Sardar, Subhankar ; Adhikari, Satrajit (2021) A beyond Born–Oppenheimer treatment of C₆H₆⁺ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation The Journal of Chemical Physics, 154 (9). ISSN 0021-9606

Mukherjee, Bijit ; Naskar, Koushik ; Mukherjee, Soumya ; Ravi, Satyam ; Shamasundar, K. R. ; Mukhopadhyay, Debasis ; Adhikari, Satrajit (2020) Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H₂ reaction The Journal of Chemical Physics, 153 (17). ISSN 0021-9606

Dutta, Joy ; Mukherjee, Soumya ; Naskar, Koushik ; Ghosh, Sandip ; Mukherjee, Bijit ; Ravi, Satyam ; Adhikari, Satrajit (2020) The role of electron–nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions Physical Chemistry Chemical Physics, 22 (47). pp. 27496-27524. ISSN 1463-9076

Naskar, Koushik ; Mukherjee, Soumya ; Mukherjee, Bijit ; Ravi, Satyam ; Mukherjee, Saikat ; Sardar, Subhankar ; Adhikari, Satrajit (2020) ADT: A Generalized Algorithm and Program for Beyond Born-Oppenheimer Equations of "N" Dimensional Sub-Hilbert Space Journal of Chemical Theory and Computation, 16 (3). pp. 1666-1680. ISSN 1549-9618

Gupta, Ankur Kumar ; Dhindhwal, Vikash ; Baer, Michael ; Sathyamurthy, Narayanasami ; Ravi, Satyam ; Mukherjee, Soumya ; Mukherjee, Bijit ; Adhikari, Satrajit (2020) Non-adiabatic coupling and conical intersection(s) between potential energy surfaces for HeH₂⁺ Molecular Physics, 118 (12). e1683243. ISSN 0026-8976