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 | 41 | 2019 |

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “*N*” Dimensional Sub-Hilbert SpaceK Naskar, S Mukherjee, B Mukherjee, S Ravi, S Mukherjee, S Sardar, ... Journal of Chemical Theory and Computation 16 (3), 1666-1680, 2020 | 26 | 2020 |

Conical intersections and nonadiabatic coupling terms in 1, 3, 5-C6H3F3+: A six state beyond Born-Oppenheimer treatment S Mukherjee, J Dutta, B Mukherjee, S Sardar, S Adhikari The Journal of Chemical Physics 150 (6), 2019 | 20 | 2019 |

Five Electronic State Beyond Born–Oppenheimer Equations and Their Applications to Nitrate and Benzene Radical Cation S Mukherjee, B Mukherjee, S Adhikari The Journal of Physical Chemistry A 121 (33), 6314-6326, 2017 | 20 | 2017 |

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 | 17 | 2020 |

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 | 14 | 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 | 13 | 2021 |

Extended Born-Oppenheimer equations for non-Abelian situations: A study on NO3 radical and 1, 3, 5-C6H3F3+ radical cation S Mukherjee, B Mukherjee, S Sardar, S Adhikari Computational and Theoretical Chemistry 1154, 57-67, 2019 | 10 | 2019 |

Topological Effects in Vibronically Coupled Degenerate Electronic States: A Case Study on Nitrate and Benzene Radical Cation S Mukherjee, B Mukherjee, J Dutta, S Sardar, S Adhikari ACS omega 3 (10), 12465-12475, 2018 | 9 | 2018 |

Beyond Born–Oppenheimer based diabatic surfaces of 1, 3, 5-C 6 H 3 F 3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach S Mukherjee, S Ravi, J Dutta, S Sardar, S Adhikari Physical Chemistry Chemical Physics 24 (4), 2185-2202, 2022 | 7 | 2022 |

Non-adiabatic coupling as a frictional force in (He, H, H)^{+} dynamics and the formation of HeH_{2}^{+}S Ravi, S Mukherjee, B Mukherjee, S Adhikari, N Sathyamurthy, M Baer Molecular Physics 119 (4), e1811907, 2021 | 7 | 2021 |

Non-adiabatic coupling and conical intersection(s) between potential energy surfaces for HeH_{2}^{+}AK Gupta, V Dhindhwal, M Baer, N Sathyamurthy, S Ravi, S Mukherjee, ... Molecular Physics 118 (12), e1683243, 2020 | 7 | 2020 |

Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C_{4}N_{2}H_{4})S Hazra, S Mukherjee, S Ravi, S Sardar, S Adhikari ChemPhysChem 23 (23), e202200482, 2022 | 5 | 2022 |

Jahn–Teller Effect in Orthorhombic Manganites: *Ab Initio* Hamiltonian and Roto-vibrational SpectrumJ Dutta, S Ravi, S Mukherjee, AK Ojha, S Adhikari The Journal of Physical Chemistry A 126 (5), 691-709, 2022 | 4 | 2022 |

Non-adiabatic coupling as a frictional force in the formation of H_{3}^{+}: a model dynamical studyS Ravi, S Mukherjee, B Mukherjee, S Adhikari, N Sathyamurthy, M Baer The European Physical Journal D 74, 1-13, 2020 | 4 | 2020 |

Trajectory surface hopping vs. quantum scattering calculations on D++ H2 and H+ H2+ reactions using ab initio surfaces and couplings S Mukherjee, S Hazra, S Ghosh, S Mukherjee, S Adhikari Chemical Physics 560, 111588, 2022 | 3 | 2022 |

Topological Studies related to Molecular Systems formed soon after the Big Bang: HeH2+ as the Precursor for HeH+ N Sathyamurthy, M Baer, S Ravi, S Mukherjee, B Mukherjee, S Adhikari arXiv preprint arXiv:1912.11076, 2019 | | 2019 |