Timothy J. Lee

A diagnostic for determining the quality of single-reference electron correlation methods

Timothy J. Lee, Peter R. Taylor · International Journal of Quantum Chemistry · 2009 · 1.3K citations · Full text

Measurement, Diagnostic T1, Education +17

A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

Martin Head‐Gordon, Rudolph J. Rico, Manabu Oumi et al. · Chemical Physics Letters · 1994 · 692 citations

Excited State Property, Localized Excited State, Engineering +11

The anharmonic force field of ethylene, C2H4, by means of accurate <i>ab initio</i> calculations

Jan M. L. Martin, Timothy J. Lee, Peter R. Taylor et al. · The Journal of Chemical Physics · 1995 · 423 citations

Quartic Force Field, Engineering, Physics +13

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

Comparison of coupled-cluster methods which include the effects of connected triple excitations

Gustavo E. Scuseria, Timothy J. Lee · The Journal of Chemical Physics · 1990 · 357 citations

Numerical Analysis, Engineering, Computational Chemistry +18