[molpro-user] Unrelaxed natural orbitals

[John Sears]

Dear users
Is it possible to compute an unrelaxed mp2 density matrix and/or unrelaxed
mp2 natural orbitals in molpro? The unrelaxed orbitals should work fine for
what I want and I would like to avoid solving the CPHF.  Any advice would be
greatly appreciated.
Best wishes
John

-- 
John Steven Sears
Center for Computational Molecular Science and Technology
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
Office: Boggs 3-19
Phone: 404-385-1310
email: john.sears at chemistry.gatech.edu