Yihan Shao
4PUBLICATIONS
136CO-AUTHORS
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Publications (4)
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|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng
|Aug 15, 2021
Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis.Junjie Yang, Qi Ou, Zheng Pei
|Jan 15, 2021
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky
|Feb 03, 2020
TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings.Nicole Bellonzi, Ethan Alguire, Shervin Fatehi
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Frequent Collaborators
2 joint publications
Nicole Bellonzi
2 joint publications
Shervin Fatehi
2 joint publications
Joseph E Subotnik
1 joint publications
Xiaoliang Pan
1 joint publications
Kwangho Nam
1 joint publications
Andrew C Simmonett
1 joint publications
Edina Rosta
1 joint publications
Junjie Yang
1 joint publications
Qi Ou
1 joint publications
Hua Wang
