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Cambridge QMC library

Lutetium pseudopotential files

Fig. Description Representation CASINO
awfn.data
Further
data
1 Dirac-Fock
AREP
Trail & Needs
summary
Tabulated ¤ 5d16s2 2D (GS)
¤ 5d26s1 4F
¤ 6s26p1 2P
¤ 5d3 4F
-
2 Dirac-Fock
AREP
Trail & Needs
summary
GAUSSIAN
CRYSTAL
-
Spin-Orbit
Pseudopotential
3 Dirac-Fock
AREP
Trail & Needs
summary
GAMESS
-
-
4 Softer DF
AREP
Trail & Needs
summary
Tabulated
¤ 5d16s2 2D (GS)
¤ 5d26s1 4F
¤ 6s26p1 2P
¤ 5d3 4F
-

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