Dear CCLers,
Does anyone know of programs or subroutines that calculate the two-particle
density matrix, rho(r1,r2), from Gaussian wavefunction WFN file ?
Any help will be appreciated
Thanks a lot
--
Nguyen Nam Anh Quebec, Canada
E-mail: anh { *at * } chm.ulaval.ca
WWW: http://promethium.chm.ulaval.ca/~anh/