[molpro-user] definition of T1 and D1 diagnostics

Luis Poveda poveda.calvino at gmail.com
Wed May 26 21:15:12 BST 2010


Dear Molpro users,
can any one tell me what the definition used in Molpro for T1 and D1
diagnostics in coupled-cluster calculation? does it corresponds to the TJ
Lee definition in Chem. Phys. Lett. 372 (2003) 362-367

Best regards
L Poveda
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