near linear dependency in basis sets...
Richard Christie
richard at pro3.chem.pitt.edu
Mon Jan 22 03:00:49 GMT 2001
Dear MOLPRO user community,
Is there an option in MOLPRO (v2000.1) to alleviate the
problem of near linear dependency in basis sets with
diffuse functions on multiple centers. ?
Yours Sincerely,
Richard Christie
--
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
richard christie
box 90 chevron science centre tel: 412-624-8694
university of pittsburgh
pittsburgh
PA 15260
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
More information about the Molpro-user
mailing list