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Cambridge QMC library

Molybdenum pseudopotential files

Fig. Description Representation CASINO
awfn.data
Further
data
1 Dirac-Fock
AREP
Trail & Needs
summary
Tabulated ¤ 4d55s1 7S (GS)
¤ 4d45s2 5D
¤ 4d6 5D
¤ 4d55p1 7P
-
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
¤ 4d55s1 7S (GS)
¤ 4d45s2 5D
¤ 4d6 5D
¤ 4d55p1 7P
-

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