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Cambridge QMC library

Helium pseudopotential files

Fig. Description Representation CASINO
awfn.data
Further
data
1 Dirac-Fock
AREP
Trail & Needs
summary
Tabulated ¤ 1s2 1S (GS)
¤ 1s12p1 3P
¤ 1s13d1 3D
-
2 Dirac-Fock
AREP
Trail & Needs
summary
GAUSSIAN
CRYSTAL
-
Spin-Orbit
Pseudopotential
3 Dirac-Fock
AREP
Trail & Needs
summary
GAMESS
-
-
4 Hartree-Fock
Trail & Needs
summary
Tabulated
¤ 1s2 1S (GS)
¤ 1s12p1 3P
¤ 1s13d1 3D
-
5 Hartree-Fock
Trail & Needs
summary
GAUSSIAN
CRYSTAL
-
-
6 Hartree-Fock
Trail & Needs
summary
GAMESS
-
-
7 Softer DF
AREP
Trail & Needs
summary
Tabulated
¤ 1s2 1S (GS)
¤ 1s12p1 3P
¤ 1s13d1 3D
-

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