Fabijan Pavošević

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

SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals

Fabijan Pavošević, Chong Peng, Peter Pinski et al. · The Journal of Chemical Physics · 2017 · 175 citations

Engineering, Computational Chemistry, Chemistry +20

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals

Fabijan Pavošević, Peter Pinski, Christoph Riplinger et al. · The Journal of Chemical Physics · 2016 · 124 citations

Development of nuclear basis sets for multicomponent quantum chemistry methods

Qi Yu, Fabijan Pavošević, Sharon Hammes‐Schiffer · The Journal of Chemical Physics · 2020 · 94 citations

Excited State Property, Physics, Basis Sets +11

Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework

Fabijan Pavošević, Tanner Culpitt, Sharon Hammes‐Schiffer · Journal of Chemical Theory and Computation · 2018 · 85 citations

Engineering, Proton-coupled Electron Transfer, Computational Chemistry +18