Concepedia

A theoretical study of the electronic spectra of pyridine and phosphabenzene

Johan Lorentzon, Markus P. Fülscher, Björn O. Roos

Theoretical Chemistry Accounts · 1995 · 43 citations · 41 references

DOI

Concepts

References

41

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

, , +15

Second-order perturbation theory with a complete active space self-consistent field reference function

Kerstin Andersson, Per‐Åke Malmqvist, Björn O. Roos · The Journal of Chemical Physics · 1992 · 3.9K citations

, , +12

Second-order perturbation theory with a CASSCF reference function

Kerstin Andersson, Per Aake. Malmqvist, Bjoern O. Roos et al. · The Journal of Physical Chemistry · 1990 · 3.3K citations

, , +9

Toward a systematic molecular orbital theory for excited states

James B. Foresman, Martin Head‐Gordon, John A. Pople et al. · The Journal of Physical Chemistry · 1992 · 2.4K citations

, , +11

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

, , +16