Concepedia

Density functional theory: excited states and spin annihilation

Christopher J. Cramer, Frederic J. Dulles, David J. Giesen, Jan Almløf

Chemical Physics Letters · 1995 · 90 citations · 27 references

DOI

Concepts

References

27

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +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 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

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 · 31.7K citations

, , +17

A Simplification of the Hartree-Fock Method

J. C. Slater · Physical Review · 1951 · 4.5K citations

, , +10