Jiuchuang/Potential-energy-surfaces

Fortran

Potential-energy-surfaces

LiH2_PES_ ²A'.f:

LiH₂ Surface evaluation routines for the ground state ²A'.

Phys.Chem.Chem.Phys.,2015,17,11732-11739

SH2_PES_1A'.f:

SH₂ surface evaluation routines for the ground state ¹A'.

Scientific Reports 2015, 5, 14594