How to extract Ex and J values in G94 HF calculation?
- From: Shubin Liu <shubin \\at// email.unc.edu>
- Subject: How to extract Ex and J values in G94 HF calculation?
- Date: Sun, 6 Oct 1996 16:18:32 -0400 (EDT)
Hi, All:
Does anyone know how to obtain the exchange energy Ex and the classical
Coulomb repulsion energy J in a G94 Hartree-Fock calculation? If you do,
would you please drop me a line? Thank you very much!
Shubin
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Shubin Liu
Department of Chemistry Email: shubin \\at// email.unc.edu
Kenan Hall A207, CB# 3290 sliu \\at// mulliken.chem.unc.edu
University of North Carolina Home Page: http://www.unc.edu/~shubin
Chapel Hill, NC 27599-3290 Tel : (919) 962-0150 (Office)
USA Fax : (919) 962-2388
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