May 2014 Archives by subject

• Messages sorted by: [ thread ] [ author ] [ date ]

Starting: Tue May 6 01:31:57 BST 2014
Ending: Wed May 28 13:16:08 BST 2014
Messages: 29

• [molpro-user] CASSCF and orbital rotation   Kaveh Haghighi Mood
• [molpro-user] CASSCF and orbital rotations   Kaveh Haghighi Mood
• [molpro-user] Default settings for Molpro installation   Alan Chien
• [molpro-user] DF-DFT-SAPT fails with PBE0 hybrid functional   Leonid Shirkov
• [molpro-user] DF-DFT-SAPT fails with PBE0 hybrid functional   Leonid Shirkov
• [molpro-user] DF-DFT-SAPT fails with PBE0 hybrid functional   Andreas Hesselmann
• [molpro-user] different DFT energies from Molpro and other softwares (Molcas, Gaussian09) for open-shell systems   gosia olejniczak
• [molpro-user] Lagrangian multipliers in CC code   ro cha
• [molpro-user] Lagrangian multipliers in CC code   Tatiana Korona
• [molpro-user] Lagrangian multipliers in CC code   ro cha
• [molpro-user] Lagrangian multipliers in CC code   Tatiana Korona
• [molpro-user] Molpro 2012.1.13 contest_lih2_D0D1   Scott Brozell
• [molpro-user] Molpro 2012.1.13 contest_lih2_D0D1   Andy May
• [molpro-user] Molpro 2012.1.13 installation comments   Scott Brozell
• [molpro-user] parallel casscf jobs?   Alan Chien
• [molpro-user] reference point for moments   Karol M. Langner
• [molpro-user] reference point for moments   Peter Knowles
• [molpro-user] ScO bond length and basis sets   Kucukbenli Emine
• [molpro-user] ScO bond length and basis sets   Kirk Peterson
• [molpro-user] ScO bond length and basis sets   Kucukbenli Emine
• [molpro-user] ScO bond length and basis sets   Kirk Peterson
• [molpro-user] Spin-orbit coupling calculation problem   Attila Bende
• [molpro-user] Spin-orbit coupling calculation problem   Kirk Peterson
• [molpro-user] Spin-orbit coupling calculation problem   Alexander Mitrushchenkov
• [molpro-user] State-Specific CASSCF?   Alan Chien
• [molpro-user] State-Specific CASSCF?   Alan Chien
• [molpro-user] transition dipoles between atomic orbitals   anikodem at ulg.ac.be
• [molpro-user] Unknown df_basis_exch Error   Harvey Wasserman
• [molpro-user] Unknown df_basis_exch Error   Andy May

Last message date: Wed May 28 13:16:08 BST 2014
Archived on: Wed May 28 22:04:44 BST 2014

• Messages sorted by: [ thread ] [ author ] [ date ]