January 2009 Archives by author

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Starting: Fri Jan 2 13:16:07 GMT 2009
Ending: Thu Jan 29 16:29:36 GMT 2009
Messages: 36

• [molpro-user] UNITED PAIR DOMAINS   Attila Bende
• [molpro-user] error assigning wf symmetry in multi   Cristopher Camacho
• [molpro-user] How to set-up molpro to find out about excited states?   Benj FitzPatrick
• [molpro-user] Hessian printing   Terry Frankcombe
• [molpro-user] How to set-up molpro to find out about excited states?   Stephen Harrison
• [molpro-user] octopole moment   Ramon Hernandez
• [molpro-user] octopole moment   Ramon Hernandez
• [molpro-user] cp-corr. Potential DF-LCCSD(T0), numerical accuracy   Grant Hill
• [molpro-user] About spin density matrices in MRCI   Chen Hui
• [molpro-user] cp-corr. Potential DF-LCCSD(T0), numerical accuracy   Gerald Knizia
• [molpro-user] read CI coefficients in multi   Peter Knowles
• [molpro-user] octopole moment   Peter Knowles
• [molpro-user] Convergence Problem in MCSCF Calculations   Peter Knowles
• [molpro-user] LIF Coupling elements   Peter Knowles
• [molpro-user] UNITED PAIR DOMAINS   Ricardo Mata
• [molpro-user] BASIS LINEARLY DEPENDENT OR WRONG   Ricardo Mata
• [molpro-user] Problem with molpro script   Andy May
• [molpro-user] Spin-Orbit Coupling in Molpro   Jeremy Merritt
• [molpro-user] Spin-Orbit Coupling in Molpro   Alexander Mitrushchenkov
• [molpro-user] BASIS LINEARLY DEPENDENT OR WRONG   Nash, Mikaela C
• [molpro-user] restart in Molpro frequency in CCSD(T) module   M Palmer
• [molpro-user] BASIS LINEARLY DEPENDENT OR WRONG   Kirk Peterson
• [molpro-user] help, CASPT2   Luis Poveda
• [molpro-user] LMP2 iterations diverge   Berger Raphael
• [molpro-user] cp-corr. Potential DF-LCCSD(T0), numerical accuracy   Berger Raphael
• [molpro-user] cp-corr. Potential DF-LCCSD(T0), numerical accuracy   Berger Raphael
• [molpro-user] Problem with molpro script   Angelo Rossi
• [molpro-user] NPA Analysis in MOLPRO 2008   Dr. John S. Sears
• [molpro-user] LIF Coupling elements   Robert Send
• [molpro-user] Convergence Problem in MCSCF Calculations   Sunil
• [molpro-user] Convergence Problem in MCSCF Calculations   Sunil
• [molpro-user] references of MS-CASPT2   Hans-Joachim Werner
• [molpro-user] references of MS-CASPT2   Zork Zou
• [molpro-user] symmetry of normal modes   Rajagopala Reddy seelam
• [molpro-user] XYZ-input   frornell at usp.br
• [molpro-user] Questions about the free rotors   cw zhou

Last message date: Thu Jan 29 16:29:36 GMT 2009
Archived on: Fri Apr 4 12:08:39 BST 2014

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