Q Chem (United States)

output

20102023

most citedBound state spectra of the 3D rational potential

17 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

Xintian Feng4 · h 17
M. Head‐Gordon3 · h 124
E. Epifanovsky2 · h 26
Jiashu Liang2 · h 9
A. Jalbout1 · h 27
A. Krylov1 · h 72
A. Roy1 · h 25
D. Hait1 · h 28
E. Proynov1 · h 21
Gregory R Medders1 · h 14
J. Gonthier1 · h 19
Joonho Lee1 · h 33

collaborating institutions

University of California, BerkeleyUS3 papers
Lawrence Berkeley National LaboratoryUS2 papers
Columbia UniversityUS1 paper
KU LeuvenBE1 paper
Universidad Nacional Autónoma de MéxicoMX1 paper
University of California, Los AngelesUS1 paper
University of PennsylvaniaUS1 paper
University of Southern CaliforniaUS1 paper
University of WarwickGB1 paper

Showing 2018Show all

1 paper · 1 filter

physics.chem-ph2018★ 16 cited

Configuration Interaction Singles with Spin-Orbit Coupling: Constructing Spin-Adiabatic States and Their Analytical Nuclear Gradients

Nicole Bellonzi, Gregory Medders, Evgeny Epifanovsky +1

For future use in modeling photoexcited dynamics and intersystem crossing, we calculate spin-adiabatic states and their analytical nuclear gradients within CIS the- ory. These ener…