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triplet excitations with dft and hf
Started by motago |
2 Replies
26540 Views |
February 27, 2009, 01:26:02 AMby motago |
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1 Replies
22791 Views |
February 09, 2009, 09:30:32 AM by uwe |
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problems with S1 optimization
Started by jc3 |
1 Replies
23489 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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hyperpolarizability
Started by onthefly |
0 Replies
21202 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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8 Replies
48742 Views |
July 03, 2008, 08:52:21 AM by christof.haettig |
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1 Replies
24563 Views |
June 16, 2008, 01:12:51 PM by christof.haettig |
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1 Replies
24447 Views |
June 02, 2008, 06:11:01 PM by christof.haettig |
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3 Replies
32403 Views |
May 21, 2008, 02:52:24 PM by uwe |
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0 Replies
21891 Views |
May 16, 2008, 04:28:16 PM by wiking |
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2 Replies
28081 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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COSMO and TDDFT
Started by oana |
0 Replies
22841 Views |
February 19, 2008, 11:40:09 AM by oana |
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egrad error: nfun > 10
Started by sv |
4 Replies
34923 Views |
December 21, 2007, 11:43:47 AM by uwe |
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Parallel version?
Started by cb |
1 Replies
27114 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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singlet excitation
Started by lsikk |
4 Replies
36822 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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triplets-spin contamination
Started by milianb |
0 Replies
24693 Views |
June 01, 2007, 11:38:31 AM by milianb |
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5 Replies
47549 Views |
March 07, 2007, 07:01:52 PM by dimi |
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1 Replies
31042 Views |
February 26, 2007, 05:42:27 PM by dimi |
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1 Replies
30873 Views |
February 26, 2007, 08:53:26 AM by uwe |
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