Concepedia
Chemical Physics Letters · 2000 · 40 citations · 28 references
28
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.2K citations
Primitive Basis Sets, Engineering, Many-body Quantum Physic +19
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.1K citations