Concepedia

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Per‐Olof Widmark, Per-�ke Malmqvist, Bj�rn O. Roos

Theoretical Chemistry Accounts · 1990 · 2K citations · 13 references

DOI

Concepts

References

13

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

General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atoms

Jan Almløf, Peter R. Taylor · The Journal of Chemical Physics · 1987 · 1.1K citations

, , +16

Binding Energies in Atomic Negative Ions: II

H. Hotop, W. C. Lineberger · Journal of Physical and Chemical Reference Data · 1985 · 1.1K citations

, , +9

General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation

Richard C. Raffenetti · The Journal of Chemical Physics · 1973 · 509 citations

, , +16

The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional

Reinhart Ahlrichs, Peter C. Scharf, Claus Ehrhardt · The Journal of Chemical Physics · 1985 · 493 citations

, , +14