A theoretical characterization of multiple isomers of the He2I2 complex

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-<i>d</i> group 16–18 elements

Kirk A. Peterson, Detlev Figgen, Erich Goll et al. · The Journal of Chemical Physics · 2003 · 2.2K citations

Natural Sciences, Chemistry, Physics +14

Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe

The Journal of Chemical Physics · 2001 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +16

Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: the atoms Ga-Kr and In-Xe

CERN Document Server (European Organization for Nuclear Research) · 2001 · 1.1K citations

Natural Sciences, Chemistry, Physics +17

Importance of Angular Correlations between Atomic Electrons

Charles Schwartz · Physical Review · 1962 · 521 citations

Natural Sciences, Physics, Atomic Physics +14