Anna I. Krylov

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

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 et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

Anna I. Krylov · Annual Review of Physical Chemistry · 2008 · 1.1K citations

Localized Excited State, Engineering, Electronically Excited Species +18

The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals

Yihan Shao, Martin Head‐Gordon, Anna I. Krylov · The Journal of Chemical Physics · 2003 · 719 citations

Quantum Dynamic, Engineering, Traditional Tddft +20

Q-Chem 2.0: a high-performanceab initio electronic structure program package

Jing Kong, Christopher A. White, Anna I. Krylov et al. · Journal of Computational Chemistry · 2000 · 628 citations

Engineering, Computational Chemistry, Chemistry +16