Mo Pseudopotentials

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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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