October 2005 Archives by author

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Starting: Mon Oct 3 18:19:49 BST 2005
Ending: Mon Oct 31 16:52:20 GMT 2005
Messages: 48

• [molpro-user] installation : problem with the linking step   Mehdi Bounouar
• [molpro-user] FCI calculations for Be and B, charged and/or triplet   Bastiaan J. Braams
• [molpro-user] Trouble with N3 calculation   Bastiaan J. Braams
• [molpro-user] Error message for rmp2 calculation for N4 complex   Bastiaan J. Braams
• [molpro-user] Trouble computing frequencies   Bastiaan J. Braams
• [molpro-user] installation : problem with the linking step   Yannick Carissan
• [molpro-user] How to input singlet Pi state ?   Yang Chuanlu
• [molpro-user] problem with calculation of potential energy curve   Yang Chuanlu
• [molpro-user] problem with calculation of potential energy curve   Yang Chuanlu
• [molpro-user] SGI Altix / ccsd(t) / MPI run does not complete   Jeffrey Frey
• [molpro-user] Transition dipole moment, phase convention   Michael Hayes
• [molpro-user] Grid construction   Gerber Iann
• [molpro-user] Is BPW91 implemented in Molpro?   Elena Jakubikova
• [molpro-user] FCI calculations for Be and B, charged and/or triplet   Peter Knowles
• [molpro-user] Restrict keyword for pair excitation   Peter Knowles
• [molpro-user] here is my input   Peter Knowles
• [molpro-user] Trouble with N3 calculation   Peter Knowles
• [molpro-user]   Constantine Koukounas
• [molpro-user] How to input singlet Pi state ?(1)   Jacky LIEVIN
• [molpro-user] Geometry optimization method   Nicholas Marshall
• [molpro-user] Cartesian gradient from wfu file   Nicholas Marshall
• [molpro-user] CASSCF calculation   Jeremy Merritt
• [molpro-user] ECP and Relativistic corrections.   Wang Mingwei
• [molpro-user] NaHe+,BSSE   Kirk Peterson
• [molpro-user] Error message for rmp2 calculation for N4 complex   Kirk Peterson
• [molpro-user] Transition dipole moment, phase convention   Kirk Peterson
• [molpro-user] How to input singlet Pi state ?(1)   Peter REINHARDT
• [molpro-user] How to input singlet Pi state ?(1)   Peter REINHARDT
• [molpro-user] CASPT2 for excited states   John Sears
• [molpro-user] How to input singlet Pi state ?(1)   Senosiain, Juan Pablo
• [molpro-user] Re: Doublet spin state with three unpaired electrons   Tony Starkey
• [molpro-user] Re: Doublet spin state with three unpaired electrons   Tony Starkey
• [molpro-user] Re: Doublet spin state with three unpaired electrons   Tony Starkey
• [molpro-user] SA-MCSCF Analytic hessian   Yann Tambouret
• [molpro-user] Geometry optimization method   H. -J. Werner
• [molpro-user] Error message for rmp2 calculation for N4 complex   H. -J. Werner
• [molpro-user] Trouble computing frequencies   H. -J. Werner
• [molpro-user] installation : problem with the linking step   Nick Wilson
• [molpro-user] How to input singlet Pi state ?   Chuanlu Yang
• [molpro-user] How to input singlet Pi state ?(1)   Chuanlu Yang
• [molpro-user] How to input singlet Pi state ?   Xinzheng Yang
• [molpro-user] How to input singlet Pi state ?   Xinzheng Yang
• [molpro-user] J operator in MATROP module   Piotr Zuchowski
• fwd:re:Re: [molpro-user] How to input singlet Pi state ?(1)   Jacques Lievin ( originally from jlievin at ulb.ac.be)
• [molpro-user] NaHe+,BSSE   erol yildirim
• [molpro-user] NaHe+,BSSE   erol yildirim
• [molpro-user] here is my input   erol yildirim
• [molpro-user] here is my input   erol yildirim

Last message date: Mon Oct 31 16:52:20 GMT 2005
Archived on: Fri Apr 4 12:08:34 BST 2014

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