March 2004 Archives by subject

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Starting: Thu Mar 4 16:29:37 GMT 2004
Ending: Wed Mar 31 15:22:37 BST 2004
Messages: 19

• (fwd) [molpro-user] Natural Orbitals for UHF, MP2, and QCISD   H. -J. Werner
• Basis set wrong?   Wei Haiyan
• [molpro-user] RE: Basis set wrong?   Li, Jun
• Catastrophic failure in diagonalization(hsdel)???   Yann Tambouret
• DFT   Peter REINHARDT
• DFT with exact exchange   Peter REINHARDT
• [molpro-user] Dunning aug-cc-pVnZ contraction scheme   Patrick Jemmer
• [molpro-user] Molpro performance on opteron   H. -J. Werner
• [molpro-user] Molpro performance on opteron   H. -J. Werner
• MRCI: restart and one-interaction only   Julien Toulouse
• Multi problems in MR-AQCC calculations   Joris Kuipers
• [molpro-user] Natural Orbitals for UHF, MP2, and QCISD   Li, Jun
• [molpro-user] NSTATI!!!   Joseph Lane
• Printing MP2 Orbitals   Joseph Lane
• [molpro-user] question   Maikel
• [molpro-user] RCCSD(T) Convergence   Constantine Koukounas
• strange CASSCF controlled exit   FRank Wagner
• T1/T2 Amplitudes & D1/D2 Diagnostics   Nathan DeYonker
• [molpro-user] RE: using LIBMOL file   Peter Knowles

Last message date: Wed Mar 31 15:22:37 BST 2004
Archived on: Fri Apr 4 12:08:31 BST 2014

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