Cambridge QMC library
Strontium pseudopotential files
Fig.
Description
Representation
CASINO
awfn.data
Further
data
1
Dirac-Fock
AREP
Trail & Needs
summary
Tabulated
¤
5s
2
1S (GS)
¤
5s
1
5p
1
3P
¤
4d
1
5s
1
3D
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
¤
5s
2
1S (GS)
¤
5s
1
5p
1
3P
¤
4d
1
5s
1
3D
Core-Polarization