Concepedia

Extended Hartree-Fock (EHF) theory in chemical reactions

Kizashi Yamaguchi, Yasunori Yoshioka, Tsutomu Takatsuka, Takayuki Fueno

Theoretical Chemistry Accounts · 1978 · 87 citations · 37 references

DOI

Concepts

References

37

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

Spin Density Waves in an Electron Gas

A. W. Overhauser · Physical Review · 1962 · 996 citations

, , +15

Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory

Rolf Seeger, John A. Pople · The Journal of Chemical Physics · 1977 · 714 citations

, , +13

Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi-Electron Model of Cyclic Polyenes

Josef Paldus · The Journal of Chemical Physics · 1967 · 600 citations

, , +17

The electronic structures of biradicals in the unrestricted Hartree-Fock approximation

Kizashi Yamaguchi · Chemical Physics Letters · 1975 · 458 citations

, , +13