Andrew C. Scheiner

Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

Andrew C. Scheiner, Gustavo E. Scuseria, Julia E. Rice et al. · The Journal of Chemical Physics · 1987 · 402 citations

Engineering, Analytic Gradients, Computational Chemistry +16

The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

Gustavo E. Scuseria, Andrew C. Scheiner, Timothy J. Lee et al. · The Journal of Chemical Physics · 1987 · 353 citations

Engineering, Configuration Interaction, Computational Chemistry +16

Spin contamination in density functional theory

Jon Baker, Andrew C. Scheiner, Jan Andzelm · Chemical Physics Letters · 1993 · 299 citations

Spintronics, Engineering, Physics +7

Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn?Sham equation using several density functionals

Andrew C. Scheiner, Jon Baker, Jan Andzelm · Journal of Computational Chemistry · 1997 · 150 citations

Chemical Engineering, Engineering, Physics +15

The malonaldehyde equilibrium geometry: A major structural shift due to the effects of electron correlation

Michael J. Frisch, Andrew C. Scheiner, Henry F. Schaefer et al. · The Journal of Chemical Physics · 1985 · 138 citations

Engineering, Equilibrium Geometry, Organic Chemistry +19