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1 Replies
550 Views |
April 05, 2024, 03:42:52 PMby yannickf |
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1 Replies
7324 Views |
August 02, 2013, 03:48:13 PM by uwe |
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1 Replies
6717 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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problems with S1 optimization
Started by jc3 |
1 Replies
6949 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7185 Views |
September 15, 2012, 09:42:11 PM by Christof |
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can escf run in parallel?
Started by golden |
1 Replies
4993 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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1 Replies
6226 Views |
February 09, 2009, 09:30:32 AM by uwe |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
5100 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
6481 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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EGRAD and NBO
Started by jchackett |
1 Replies
6048 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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1 Replies
9677 Views |
February 26, 2007, 05:42:27 PM by dimi |
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twoint empty
Started by jbaltrus |
0 Replies
4484 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
5105 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5029 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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Symmetry of excited states
Started by dcav |
0 Replies
4112 Views |
December 10, 2017, 12:45:02 PM by dcav |
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COSMO and TDDFT
Started by oana |
0 Replies
5854 Views |
February 19, 2008, 11:40:09 AM by oana |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
2890 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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triplets-spin contamination
Started by milianb |
0 Replies
6918 Views |
June 01, 2007, 11:38:31 AM by milianb |
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0 Replies
4727 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
4286 Views |
June 09, 2017, 09:34:59 AM by Punix |
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