April 2016 Archives by subject

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Starting: Mon Apr 4 00:24:35 CEST 2016
Ending: Sat Apr 30 15:02:01 CEST 2016
Messages: 25

• [molpro-user] [molpro user] multi convergence question   郑利敏
• [molpro-user] ADC(2) excited state geometry optimization   Li Jian-Hao
• [molpro-user] BAD TERMINATION RETURENED BY MOLPRO   Tanjin He
• [molpro-user] BAD TERMINATION RETURENED BY MOLPRO   Grant Hill
• [molpro-user] CCSD(T)-F12/AVDZ calculation for He   lsong
• [molpro-user] DFT functionals   Ersin Yurtsever
• [molpro-user] DFT functionals   Andy May
• [molpro-user] Error in molpro test jobs   Cayo Emilio
• [molpro-user] Error in molpro test jobs   Andy May
• [molpro-user] finite field polarizability off-diagonal terms   Amit Sharma
• [molpro-user] How is Pople correction calculated.   Lorenzo Lodi
• [molpro-user] how to find the data of spin orbit coupling constant   郭建东
• [molpro-user] how to increase number of iterations in SCF ?   Sabyasachi Roy Chowdhury
• [molpro-user] how to increase number of iterations in SCF ?   Kirk Peterson
• [molpro-user] Input for basis extrapolation of two CI roots   H. Hogreve
• [molpro-user] Input for basis extrapolation of two CI roots   Hans-Joachim Werner
• [molpro-user] Radical Cation Wavefunction   MD Simulation
• [molpro-user] Radical Cation Wavefunction   Hans-Joachim Werner
• [molpro-user] Radical Cation Wavefunction   MD Simulation
• [molpro-user] Radical Cation Wavefunction   Tony Stüker
• [molpro-user] spin orbit with def2-ecp.   Amit Sharma
• [molpro-user] state degeneracy - fundamental question   Amit Sharma
• [molpro-user] state degeneracy - fundamental question   Kirk Peterson
• [molpro-user] Thermodynamics for a single atom   Attila Bende
• [molpro-user] Thermodynamics for a single atom   Kirk Peterson

Last message date: Sat Apr 30 15:02:01 CEST 2016
Archived on: Sat Apr 30 19:12:05 CEST 2016

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