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Optimization at RI-MP2-F12 level
Started by tayed |
0 Replies
7380 Views |
November 07, 2011, 05:02:19 PMby tayed |
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0 Replies
8132 Views |
May 22, 2012, 03:49:30 PM by sampsa |
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fortran read error in CCSD(T)
Started by enolate |
0 Replies
9768 Views |
June 19, 2012, 11:41:37 PM by enolate |
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Excited states with CCSD
Started by evgeniy |
0 Replies
7886 Views |
September 12, 2012, 12:10:08 PM by evgeniy |
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0 Replies
8695 Views |
November 22, 2012, 03:46:43 PM by evgeniy |
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0 Replies
58 Views |
January 20, 2025, 11:31:05 AM by evgeniy |
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unacceptable error in traces
Started by jbaltrus |
0 Replies
8305 Views |
December 27, 2012, 12:32:07 AM by jbaltrus |
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0 Replies
7670 Views |
January 14, 2013, 04:02:26 PM by evgeniy |
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0 Replies
7849 Views |
February 11, 2013, 12:38:25 PM by Addiw7 |
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RICC2/STO-3G Strange Error
Started by turbousr |
0 Replies
10954 Views |
March 08, 2013, 01:47:20 PM by turbousr |
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External electrostatic field
Started by djelenfi |
0 Replies
5648 Views |
February 17, 2020, 08:22:41 PM by djelenfi |
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Mulliken population analyses.
Started by Addiw7 |
0 Replies
8047 Views |
April 03, 2013, 03:48:46 PM by Addiw7 |
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0 Replies
7731 Views |
October 13, 2011, 05:17:36 PM by janwahl |
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dipole moment for the ground state
Started by iamxyj |
0 Replies
7143 Views |
November 29, 2011, 11:24:51 AM by iamxyj |
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HOMO-LUMO gap
Started by Libo |
0 Replies
8491 Views |
December 12, 2011, 02:39:04 PM by Libo |
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CC2 vs MP2
Started by evgeniy |
0 Replies
8591 Views |
December 15, 2011, 07:50:41 PM by evgeniy |
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triplet states
Started by jbaltrus |
0 Replies
7732 Views |
June 29, 2011, 12:42:42 AM by jbaltrus |
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Ricc2 optimization problem
Started by lara.martinez |
1 Replies
9320 Views |
September 12, 2012, 12:21:31 PM by evgeniy |
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1 Replies
8004 Views |
February 14, 2013, 02:19:42 AM by Hauke |
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1 Replies
8233 Views |
November 10, 2011, 09:52:26 AM by uwe |
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