Concepedia

Approximation of d- and f-type orbitals by spherical gaussian functions

Frank Driessler, Reinhart Ahlrichs

Chemical Physics Letters · 1973 · 89 citations · 12 references

DOI

Concepts

References

12

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

, , +12

Gaussian-Type Functions for Polyatomic Systems. II

Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations

, , +15

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

Samuel Francis Boys · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1950 · 1.3K citations

, , +17

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

Wilfried Meyer · The Journal of Chemical Physics · 1973 · 1K citations

, , +17

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

Jerry L. Whitten · The Journal of Chemical Physics · 1966 · 435 citations

, , +17