Concepedia

Approximately spin-projected geometry optimization method and its application to di-chromium systems

Yasutaka Kitagawa, Tôru Saitô, M. Ito, Mitsuo Shoji, Kenichi Koizumi, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Chemical Physics Letters · 2007 · 141 citations · 21 references

DOI

Concepts

References

21

Modern quantum chemistry

Lajos Moln r · Nuclear Physics · 1966 · 2.5K citations

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Discussion on The Hartree-Fock Approximation

Peter Lykos, G. W. Pratt · Reviews of Modern Physics · 1963 · 364 citations

, , +12

Self-consistent field—theory and applications

W. W · Journal of Molecular Structure THEOCHEM · 1991 · 325 citations

, , +6

Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

Dieter Cremer · Molecular Physics · 2001 · 305 citations

, , +16

A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to Zn

Hiroshi Tatewaki, Sigeru Huzinaga · The Journal of Chemical Physics · 1979 · 246 citations

, , +13