[molpro-user] 1e and 2e matrix elements

[David Woon]

Does anyone know if it's possible to print out the matrix
elements of the one- and two-electron energies of a
converged MRCI calculation?

E_1e(i,j), for i=1, n(electrons) and j=1,N(nuclei)
E_2e(i,j), for i,j=1, n(electrons)

Thanks,
Dave Woon

-- 
David E. Woon, PhD
Visiting Research Scientist
Department of Chemistry
Box 92-6, CLSL
600 S. Mathews Ave.
Urbana, IL 61801
davidewoon at gmail.com
http://www.astrochymist.org/woon
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