Concepedia

Energy-adjustedab initio pseudopotentials for the second and third row transition elements: Molecular test for M2 (M=Ag, Au) and MH (M=Ru, Os)

Dirk Andrae, U. H�u�ermann, Michael Dolg, Hermann Stoll, H. Preu�

Theoretical Chemistry Accounts · 1991 · 160 citations · 25 references

DOI

Concepts

References

25

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Dirk Andrae, Michael Dolg, Hermann Stoll · Theoretica Chimica Acta · 1990 · 8.5K citations

, , +10

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

Configuration interaction calculations on the nitrogen molecule

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

, , +16