[comp.lang.fortran] WANTED: subroutine to compute slater determinant

rkowen@violet.berkeley.edu (Dario Bressanini) (04/20/91)

Hi, I made this request to sci.chem but so far i have received
no answer, wrong group probably :-)

I need a FAST subroutine to compute the value of a Slater determinant
for N Molecular orbitals, each built with a linear combination
of AOs. In other words: I have the coefficients of the linear
combination of a set of basis function and i want a routine
to compute the value of the wave function.

Any Help ?    dario bressanini    rkowen@violet.berkeley.edu