Concepedia

On the calculation of bonding energies by the Hartree Fock Slater method

Tom Ziegler, Arvi Rauk

Theoretical Chemistry Accounts · 1977 · 2.4K citations · 15 references

DOI

Concepts

References

15

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

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Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(<i>X</i>1Σ<i>g</i>+) and N2+(<i>X</i>2Σ<i>g</i>+, <i>A</i>2Π<i>u</i>, <i>B</i>2Σ<i>u</i>+) Molecular Ions

Paul E. Cade, Keith D. Sales, Arnold C. Wahl · The Journal of Chemical Physics · 1966 · 460 citations

, , +16

A new computational approach to Slater’s SCF–<i>X</i>α equation

H. Sambe, Ronald H. Felton · The Journal of Chemical Physics · 1975 · 421 citations

, , +10

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

Evert Jan Baerends, P. Ros · Chemical Physics · 1973 · 406 citations

, , +14

Molecular Schrödinger Equation. VIII. A New Method for the Evaluation of Multidimensional Integrals

Harold Conroy · The Journal of Chemical Physics · 1967 · 402 citations

, , +16