August 2017 Archives by author
Starting: Tue Aug 1 11:02:12 CEST 2017
Ending: Thu Aug 31 17:34:25 CEST 2017
Messages: 43
- [molpro-user] Input geometry of combined system (molecule and ion)
KhanBasir Ahamed (자연과학부)
- [molpro-user] ion-molecule complexes
KhanBasir Ahamed (자연과학부)
- [molpro-user] MS-MR-CASPT2
KhanBasir Ahamed (자연과학부)
- [molpro-user] problem in caspt2
KhanBasir Ahamed (자연과학부)
- [molpro-user] Atom excitation energies and transition moments
Pablo Avaria
- [molpro-user] Atom excitation energies and transition moments
Pablo Avaria
- [molpro-user] Frequency analysis of electronic excited states
Pablo Avaria
- [molpro-user] Frequency analysis of electronic excited states
Pablo Avaria
- [molpro-user] WARNING when computing F12-CCSD(T) harmonic frequencies and F12-VQZ basis set
Andrea PIETROPOLLI CHARMET
- [molpro-user] WARNING when computing F12-CCSD(T) harmonic frequencies
Andrea PIETROPOLLI CHARMET
- [molpro-user] about Uranium molecules
Eduardo Solis Céspedes
- [molpro-user] (no subject)
Eduardo Solis Céspedes
- [molpro-user] about Uranium molecules
Eduardo Solis Céspedes
- [molpro-user] about Uranium molecules
Eduardo Solis Céspedes
- [molpro-user] about Uranium molecules
Eduardo Solis Céspedes
- [molpro-user] about Uranium molecules
Eduardo Solis Céspedes
- [molpro-user] VCI - insufficient memory available
Dinu, Dennis Florian
- [molpro-user] ion-molecule complexes
Terry Frankcombe
- [molpro-user] (no subject)
Hoffman, Gerald
- [molpro-user] *** [SPAM] *** Atom excitation energies and transition moments
Tatiana Korona
- [molpro-user] *** [SPAM] *** Re: Atom excitation energies and transition moments
Tatiana Korona
- [molpro-user] *** [SPAM] *** Frequency analysis of electronic excited states
Tatiana Korona
- [molpro-user] *** [SPAM] *** Re: Frequency analysis of electronic excited states
Tatiana Korona
- [molpro-user] (no subject)
Jacky LIEVIN
- [molpro-user] Facing problem with CCSD(T)-F12
Mandal, Bikramaditya
- [molpro-user] 回复: How to resolve the worring in SOC calculation
Alexander Mitrushchenkov
- [molpro-user] How to resolve the worring in SOC calculation
Murphy, Paul
- [molpro-user] Can you average over ionised/attached states using SA-CASSCF in Molpro?
Seth Olsen
- [molpro-user] (no subject)
Peterson, Kirk
- [molpro-user] about Uranium molecules
Peterson, Kirk
- [molpro-user] about Uranium molecules
Peterson, Kirk
- [molpro-user] about Uranium molecules
Peterson, Kirk
- [molpro-user] MS-MR-CASPT2
Peterson, Kirk
- [molpro-user] about Uranium molecules
Peterson, Kirk
- [molpro-user] Reading initial guess from different geometry
Peterson, Kirk
- [molpro-user] Can you average over ionised/attached states using SA-CASSCF in Molpro?
Peterson, Kirk
- [molpro-user] problem in caspt2
Peterson, Kirk
- [molpro-user] problem in caspt2
Peterson, Kirk
- [molpro-user] DFT-D3 parameters
Leonid Shirkov
- [molpro-user] Printing Gradients in LCC2/ADC(2)
Zhibo Wang
- [molpro-user] optimizing a conical intersection geometry at mrci level
george
- [molpro-user] Reading initial guess from different geometry
胡连瑞
- [molpro-user] Reading initial guess from different geometry
胡连瑞
Last message date:
Thu Aug 31 17:34:25 CEST 2017
Archived on: Fri Sep 1 09:18:32 CEST 2017
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