Path: utzoo!utgpu!news-server.csri.toronto.edu!rpi!zaphod.mps.ohio-state.edu!wuarchive!uwm.edu!bionet!agate!violet.berkeley.edu!rkowen From: rkowen@violet.berkeley.edu (Dario Bressanini) Newsgroups: comp.lang.fortran Subject: WANTED: subroutine to compute slater determinant Keywords: slater determinant, quantum chemistry Message-ID: <1991Apr19.171038.1809@agate.berkeley.edu> Date: 19 Apr 91 17:10:38 GMT Sender: root@agate.berkeley.edu (Charlie Root) Organization: University of California, Berkeley Lines: 10 Originator: rkowen@violet.berkeley.edu 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