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triplets-spin contamination
Started by milianb |
0 Replies
10750 Views |
June 01, 2007, 11:38:31 AMby milianb |
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0 Replies
8045 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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0 Replies
7533 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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Symmetry of excited states
Started by dcav |
0 Replies
6878 Views |
December 10, 2017, 12:45:02 PM by dcav |
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1 Replies
14106 Views |
February 26, 2007, 05:42:27 PM by dimi |
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can escf run in parallel?
Started by golden |
1 Replies
7854 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
8664 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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1 Replies
9415 Views |
April 12, 2011, 05:36:08 PM by uwe |
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1 Replies
8288 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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EGRAD and NBO
Started by jchackett |
1 Replies
8854 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
9404 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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1 Replies
8447 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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1 Replies
10475 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
9538 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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1 Replies
11175 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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problems with S1 optimization
Started by jc3 |
1 Replies
9901 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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Abnormal termination of egrad
Started by jakob |
1 Replies
8978 Views |
August 09, 2016, 08:51:54 PM by uwe |
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1 Replies
9226 Views |
February 09, 2009, 09:30:32 AM by uwe |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
10021 Views |
September 15, 2012, 09:42:11 PM by Christof |
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Parallel version?
Started by cb |
1 Replies
11173 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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