Concepedia

Study of the dependence of spin-orbit matrix elements on AO basis set composition for inner and valence shells: Results for the multiplet splitting of X 3Σ− and C 3Π of SO and X 2Π in SO+

Rainer Klotz, Christel M. Marian, Sigrid D. Peyerimhoff, Bernd A. Heß, Robert J. Buenker

Chemical Physics · 1983 · 33 citations · 30 references

DOI

Concepts

References

30

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.7K citations

, , +13

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

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations

, , +17

Configuration interaction calculations on the nitrogen molecule

Stephen R. Langhoff, Ernest R. Davidson · International Journal of Quantum Chemistry · 1974 · 2.9K citations

, , +16

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1971 · 2.2K citations

, , +16