Cu Pseudopotentials

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Cambridge QMC library

Copper pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 3d¹⁰4s¹ 2S (GS) ¤ 3d⁹4s² 2D ¤ 3d¹⁰4p¹ 2P	Core-Polarization
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	¤ 3d¹⁰4s¹ 2S (GS) ¤ 3d⁹4s² 2D ¤ 3d¹⁰4p¹ 2P	Core-Polarization
5	Hartree-Fock Trail & Needs summary	GAUSSIAN CRYSTAL	-	-
6	Hartree-Fock Trail & Needs summary	GAMESS	-	-
7	Softer DF AREP Trail & Needs summary	Tabulated	¤ 3d¹⁰4s¹ 2S (GS) ¤ 3d⁹4s² 2D ¤ 3d¹⁰4p¹ 2P	Core-Polarization
8	Small Core DF AREP Trail & Needs summary	Tabulated	¤ 3p⁶ 3d¹⁰ 4s¹ 2S (GS)	Core-Polarization
9	Small Core DF AREP Trail & Needs summary	GAUSSIAN CRYSTAL	-	-

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