Tc Pseudopotentials

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Cambridge QMC library

Technetium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 4d⁵5s² 6S (GS) ¤ 4d⁶5s¹ 6D ¤ 4d⁷ 4F ¤ 4d⁶5p¹ 6F	-
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	¤ 4d⁵5s² 6S (GS) ¤ 4d⁶5s¹ 6D ¤ 4d⁷ 4F ¤ 4d⁶5p¹ 6F	-

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