I need an EFFICIENT subroutine that computes the value of
PSI, H PSI, DEL PSI where PSI is a trial wavefunction expressed as
a Slater determinant (or more that one) given the basis set and the
MO coefficients to incorporate in a MonteCarlo program.
any Help ?
thanks Dario Bressanini
EMAIL: LESTER2 |-at-| UCBCMSA.BITNET
rkowen |-at-| violet.berkeley.edu
dario%qmc4 |-at-| csa.lbl.gov