Concepedia

Alexander A. Kunitsa

AA

9

Publications

1.4K

Citations

9

H-Index

2011

Active since

Affiliations

Boston University(Current)

Pacific Northwest National Laboratory

University at Buffalo, State University of New York

Zapata (United States)

Institute of Problems of Chemical Physics

Alexander A. Kunitsa is an author at Boston University specializing in physics, computational chemistry, and quantum chemistry.

Top concepts

PhysicsChemistryEngineeringNatural SciencesQuantum ChemistryPhysical ChemistryComputational ChemistryPhotochemistryQuantum ScienceComputer Science

Publications per year

2011–2023

9

Publications

9

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

CAP-XMCQDPT2 method for molecular electronic resonances

Alexander A. Kunitsa, A. A. Granovsky, Ksenia B. Bravaya · The Journal of Chemical Physics · 2017 · 36 citations

Resonances Positions, Excited State Property, Engineering +15

First-Principles Calculations of the Energy and Width of the <sup>2</sup>A<sub>u</sub> Shape Resonance in <i>p</i>-Benzoquinone: A Gateway State for Electron Transfer

Alexander A. Kunitsa, Ksenia B. Bravaya · The Journal of Physical Chemistry Letters · 2015 · 34 citations

First-principles Calculations, Proton-coupled Electron Transfer, Magnetic Resonance +20

Basis Set Selection for Molecular Core-Level <i>GW</i> Calculations

Daniel Mejı́a-Rodrı́guez, Alexander A. Kunitsa, Edoardo Aprà et al. · Journal of Chemical Theory and Computation · 2022 · 26 citations

NWChem: Recent and Ongoing Developments

Daniel Mejı́a-Rodrı́guez, Edoardo Aprà, Jochen Autschbach et al. · Journal of Chemical Theory and Computation · 2023 · 24 citations · Full text

Engineering, Chemical Analysis, Computational Chemistry +17

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