Peter M. W. Gill

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

Natural Sciences, Chemistry, Physics +17

The performance of a family of density functional methods

Benny G. Johnson, Peter M. W. Gill, John A. Pople · The Journal of Chemical Physics · 1993 · 1.9K citations

Natural Sciences, Chemistry, Physics +17

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

Natural Sciences, Chemistry, Physics +17

The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets

Peter M. W. Gill, Benny G. Johnson, John A. Pople et al. · Chemical Physics Letters · 1992 · 998 citations

Natural Sciences, Chemistry, Physics +12

Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)

Andrew T. B. Gilbert, Nicholas A. Besley, Peter M. W. Gill · The Journal of Physical Chemistry A · 2008 · 642 citations

Natural Sciences, Chemistry, Physics +17