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 … S Ghosh, S Mukherjee, B Mukherjee, S Mandal, R Sharma, P Chaudhury, ... The Journal of Chemical Physics 147 (7), 2017 | 54 | 2017 |

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 |

Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion S Mukherjee, B Mukherjee, S Sardar, S Adhikari The Journal of Chemical Physics 143 (24), 2015 | 27 | 2015 |

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 |

A beyond Born-Oppenheimer treatment of five state molecular system NO3 and the photodetachment spectra of its anion B Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari Chemical Physics 515, 350-359, 2018 | 25 | 2018 |

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 |

An *ab initio* investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO_{3} radicalB Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari Molecular Physics 115 (21-22), 2833-2848, 2017 | 19 | 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 |

Topological study of the H_{3}^{++} molecular system: H_{3}^{++} as a cornerstone for building molecules during the Big BangB Mukherjee, D Mukhopadhyay, S Adhikari, M Baer Molecular Physics 116 (19-20), 2435-2448, 2018 | 11 | 2018 |

Ab-initio non-adiabatic couplings among three lowest singlet states of H3+: Construction of multisheeted diabatic potential energy surfaces B Mukherjee, S Mukherjee, S Adhikari Journal of Physics: Conference Series 759 (1), 012050, 2016 | 11 | 2016 |

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 |

Topological studies related to molecular systems formed during the Big Bang: H_{3}^{+} as an exampleB Mukherjee, KR Shamasundar, S Adhikari, M Baer International Journal of Quantum Chemistry 119 (16), e25949, 2019 | 8 | 2019 |

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 |

Beyond Born-Oppenheimer treatment for the construction of triple-sheeted accurate diabatic Hamiltonian matrix of F+ H2 system B Mukherjee, S Mukherjee, KR Shamasundar, S Adhikari Journal of Physics: Conference Series 833 (1), 012004, 2017 | 7 | 2017 |

Beyond Born-Oppenheimer treatment on spectroscopic and scattering processes B Mukherjee, S Ghosh, S Adhikari Journal of Physics: Conference Series 1148 (1), 012001, 2018 | 6 | 2018 |

Shielding collisions of ultracold CaF molecules with static electric fields B Mukherjee, MD Frye, CR Le Sueur, MR Tarbutt, JM Hutson Physical Review Research 5 (3), 033097, 2023 | 4 | 2023 |