Soumya Mukherjee

collaborators

2 papers

cond-mat.mtrl-sci2025

Construction of First Principle Based Adiabatic and Diabatic Hamiltonian for TiO $_{6}^{8 -}$ unit of BaTiO $_{3}$ Crystal: Photoemission Spectra and Ferroelectricity

Mantu Kumar Sah, Soumya Mukherjee, Satyam Ravi +1

The ferroelectric property of BaTiO $_{3}$ crystal arises from the strong Pseudo Jahn-Teller (PJT) interactions between the non-degenerate ground electronic state, $^{1} A_{1 g}$ and the…

physics.chem-ph2024

Quasi-classical Trajectory Calculations on a Two-state Potential Energy Surface Including Nonadiabatic Coupling Terms as Friction for D+ + H2 Collisions

Soumya Mukherjee, Swagato Saha, Sandip Ghosh +3

Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carr…

Construction of First Principle Based Adiabatic and Diabatic Hamiltonian for TiO68−​ unit of BaTiO3​ Crystal: Photoemission Spectra and Ferroelectricity

Quasi-classical Trajectory Calculations on a Two-state Potential Energy Surface Including Nonadiabatic Coupling Terms as Friction for D+ + H2 Collisions

Construction of First Principle Based Adiabatic and Diabatic Hamiltonian for TiO $_{6}^{8 -}$ unit of BaTiO $_{3}$ Crystal: Photoemission Spectra and Ferroelectricity