Concepedia

Ab initio CI calculations on the PE and VUV spectra of hydrogen peroxide

C. Chevaldonnet, H. Cardy, Alain Dargelos

Chemical Physics · 1986 · 51 citations · 25 references

DOI

Concepts

References

25

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

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

Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions

B. Huron, Jean‐Paul Malrieu, P. Rancurel · The Journal of Chemical Physics · 1973 · 1.3K citations

, , +15

Energy extrapolation in CI calculations

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1975 · 1K citations

, , +3