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2 Replies
5798 Views |
February 11, 2016, 02:24:54 PMby gilles |
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2 Replies
5605 Views |
November 27, 2015, 03:29:38 PM by christof.haettig |
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1 Replies
5055 Views |
November 20, 2015, 03:44:55 PM by christof.haettig |
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RI-CC2 excitation calculation
Started by philippt |
3 Replies
7628 Views |
November 20, 2015, 02:32:24 PM by christof.haettig |
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2 Replies
5888 Views |
October 16, 2015, 11:09:19 AM by evgeniy |
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rimp2 energy comparison
Started by jbaltrus |
1 Replies
5831 Views |
September 25, 2015, 02:47:35 PM by christof.haettig |
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18 Replies
23693 Views |
September 25, 2015, 02:36:07 PM by christof.haettig |
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1 Replies
5800 Views |
September 25, 2015, 02:30:10 PM by christof.haettig |
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Numerical Geometry Optimization for CCSD(T)
Started by mike |
4 Replies
8552 Views |
September 25, 2015, 02:20:24 PM by christof.haettig |
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5 Replies
8239 Views |
September 25, 2015, 02:18:05 PM by christof.haettig |
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6 Replies
7724 Views |
September 25, 2015, 02:11:33 PM by christof.haettig |
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1 Replies
5195 Views |
September 25, 2015, 01:43:21 PM by christof.haettig |
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ricc2 -fanal
Started by sesawoit |
2 Replies
4725 Views |
September 21, 2015, 07:17:57 PM by sesawoit |
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1 Replies
5317 Views |
May 07, 2015, 01:34:04 AM by Rafał Bachorz |
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Finding transition state @ RI-MP2
Started by ztehrani |
7 Replies
8622 Views |
April 26, 2015, 06:28:49 AM by ztehrani |
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Dipole moment of Excited States with CC2
Started by pietd0 |
1 Replies
5498 Views |
September 02, 2014, 09:56:14 AM by Arnim |
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2 Replies
5495 Views |
August 27, 2014, 12:25:52 PM by pietd0 |
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2 Replies
5751 Views |
July 31, 2014, 02:18:01 PM by dbk80 |
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RICC2/RIMP2 for extra large systems
Started by kabel999 |
5 Replies
12988 Views |
July 30, 2014, 12:18:13 PM by christof.haettig |
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specify maxdisk in ricc2
Started by jbaltrus |
3 Replies
5681 Views |
July 30, 2014, 12:11:25 PM by christof.haettig |
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