Y Pseudopotentials

line

Cambridge QMC library

Yttrium pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 4d¹5s² 2D (GS) ¤ 4d²5s¹ 4F ¤ 5s²5p¹ 2P ¤ 4d³ 4F	Core-Polarization
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	¤ 4d¹5s² 2D (GS) ¤ 4d²5s¹ 4F ¤ 5s²5p¹ 2P ¤ 4d³ 4F	Core-Polarization

line