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An efficient method for calculating effective core potential integrals which involve projection operators

Chris‐Kriton Skylaris, Laura Gagliardi, Nicholas C. Handy, Andrew G. Ioannou, Steven A. Spencer, Andrew Willetts, Adrian M. Simper

Chemical Physics Letters · 1998 · 25 citations · 18 references

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References

18

<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

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

Willard R. Wadt, P. Jeffrey Hay · The Journal of Chemical Physics · 1985 · 10K citations

, , +17

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