Saswata Roy

8PUBLICATIONS
14CO-AUTHORS
Mathematical aspects of general relativityTheoretical quantum chemistryTransition metal chemistryRadiation and matter
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Publications (8)

|Mar 27, 2023
Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory.

Davood Dar, Saswata Roy, Neepa T Maitra

|Nov 15, 2022
Nonadiabatic Dynamics of Hydrogen Tunneling with Nuclear-Electronic Orbital Multistate Density Functional Theory.

Qi Yu, Saswata Roy, Sharon Hammes-Schiffer

|Nov 02, 2021
Direct Dynamics with Nuclear-Electronic Orbital Density Functional Theory.

Zhen Tao, Qi Yu, Saswata Roy

|Jul 14, 2021
Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies.

Zhen Tao, Saswata Roy, Patrick E Schneider

|May 23, 2020
Synthesis of LnII -in-Cryptand Complexes by Chemical Reduction of LnIII -in-Cryptand Precursors: Isolation of a NdII -in-Cryptand Complex.

Daniel N Huh, Sierra R Ciccone, Samuel Bekoe

|Aug 30, 2019
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation.

Shane M Parker, Saswata Roy, Filipp Furche

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Frequent Collaborators

4 joint publications

Filipp Furche

3 joint publications

Sharon Hammes-Schiffer

2 joint publications

Daniel N Huh

2 joint publications

Joseph W Ziller