Publication List

1. Reactive scattering of H₂ on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation,
   B. Smits, M. K. Sah, K. Naskar, S. Adhikari, J. Meyer and M. F. Somers,
   Journal of Chemical Physics 161, 154702 (2024)

2. Ortho–Para Conversion for H⁺+H₂ Collision in Low Temperature: A Fully Close-Coupled Time-Dependent Wave Packet Study,
   S. Hazra, K. Naskar, S. Adhikari, A JC Varandas
   The Journal of Physical Chemistry A 128, 8833 (2024)

3. On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H₂ from Cu(111) at 925 K,
   M. K. Sah, K. Naskar, S. Adhikari, B. Smits, J. Meyer and M. F. Somers,
   Journal of Chemical Physics 161, 014306 (2024)

4. 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 and S. Adhikari,
   Journal of Physical Chemistry A 128, 1438–1456 (2024)

5. Photoelectron Spectra of Benzene: Can Path Dependent Diabatic Surfaces Provide Unique Observables?
   M. K. Sah, S. Mukherjee, S. Saha, K. Naskar, and S. Adhikari,
   Journal of Chemical Physics 159, 244116 (2023)

6. Beyond Born-Oppenheimer Treatment for Multi-State Photoelectron Spectra, Phase Transitions of Solids and Scattering Processes,
   S. Mukherjee, K. Naskar, S. Hazra, M. K. Sah and S. Adhikari,
   Journal of Physics: Conference Series (2024)

7. Curl Condition: Existence of Sub-Hilbert Space for Molecular Species or Chemical Processes,
   M. K. Sah, S. Mukherjee, K. Naskar, S. Hazra and S. Adhikari,
   International Journal of Quantum Chemistry 123, e27212 (2023).

8. 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, and N. Sathyamurthy,
   Journal of Chemical Physics. 159, 034302 (2023).

9. Beyond Born-Oppenheimer Constructed Diabatic Potential Energy Surfaces for HeH₂⁺,
   K. Naskar, S. Ravi, S. Adhikari, M. Baer and N. Sathyamurthy,
   Journal of Physical Chemistry A 127, 3832 (2023)

10. 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, and M. Somers,
    Journal of Chemical Physics 157, 194112 (2022).

11. Accurate Calculation of Rate Constant and Isotope Effect for F+H₂ Reaction by Coupled 3D Time-dependent Wave Packet Method on the Newly Constructed ab initio Ground Potential Energy Surface, K. Naskar, S. Ghosh and S. Adhikari, Journal of Physical Chemistry A, 126, 3311 (2022).

12. A Beyond Born-Oppenheimer Treatment of C₆H₆⁺ Radical Cation for Diabatic Surfaces: Photoelectron Spectra of its Neutral Analogue Using Time-Dependent Discrete Variable Representation,
    S. Mukherjee, S. Ravi, K. Naskar, S. Sardar and S. Adhikari,
    Journal of Chemical Physics, 154, 094306 (2021).

13. 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 and S. Adhikari,
    Physical Chemistry Chemical Physics (Perspective), 22, 27496-27524 (2020).

14. Beyond Born-Oppenheimer Constructed Diabatic Potential Energy Surfaces for F+H₂ Reaction,
    B. Mukherjee, K. Naskar, S. Mukherjee, S. Ravi, K. R. Shamasundar, D. Mukhopadhyay and S. Adhikari,
    Journal of Chemical Physics, 153, 174301/1-20 (2020).

15. ADT: A Generalized Algorithm and Program for Beyond Born-Oppenheimer Equations of “N” Dimensional Sub-Hilbert Space,
    K. Naskar, Soumya Mukherjee, B. Mukherjee, S. Ravi, Saikat Mukherjee, S. Sardar and S. Adhikari,
    Journal of Chemical Theory and Computation, 16, 1666-1680 (2020).

16. Beyond Born-Oppenheimer Theory for Spectroscopic and Scattering Processes,
    B. Mukherjee, K. Naskar, S. Mukherjee, S. Ghosh, T. Sahoo and S. Adhikari,
    International Reviews in Physical Chemistry, 38, 287 (2019).