Open-shell BCCD calculations

Lawrence Harding harding at anchim.chm.anl.gov
Tue Mar 7 01:06:15 GMT 2000


 I often get the same error message when doing uccsd(t) calculations. I
find that often just using a different starting guess for the
hartree-fock calculation will cause the problem to go away (even though
the hartree-fock calculation appears to converge to the same solution in
both cases).







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