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TDDFT cosmo
Started by jbaltrus |
0 Replies
4995 Views |
October 02, 2010, 01:56:30 AMby jbaltrus |
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Error message from ESCF
Started by slackenerny |
3 Replies
9581 Views |
August 06, 2010, 09:15:23 PM by uwe |
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1 Replies
6684 Views |
June 07, 2010, 11:02:32 AM by Arnim |
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0 Replies
5220 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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1 Replies
6367 Views |
January 15, 2010, 08:26:29 AM by christof.haettig |
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2 Replies
8209 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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1 Replies
8867 Views |
November 24, 2009, 08:30:48 PM by antti_karttunen |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
6446 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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transition dipole moment
Started by arek1arek |
3 Replies
9508 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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electrostatic properties of excited states
Started by plato |
0 Replies
5953 Views |
June 19, 2009, 01:44:00 PM by plato |
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EGRAD and NBO
Started by jchackett |
1 Replies
6011 Views |
May 28, 2009, 10:16:07 AM by Arnim |
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Spin-Orbit coupling
Started by plato |
0 Replies
6955 Views |
April 30, 2009, 10:38:58 PM by plato |
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exited state polarizability
Started by lsikk |
2 Replies
8706 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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5 Replies
13801 Views |
March 10, 2009, 12:30:48 AM by ylniu |
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How can I get transition density?
Started by ylniu |
0 Replies
6334 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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triplet excitations with dft and hf
Started by motago |
2 Replies
7968 Views |
February 27, 2009, 01:26:02 AM by motago |
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1 Replies
6186 Views |
February 09, 2009, 09:30:32 AM by uwe |
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problems with S1 optimization
Started by jc3 |
1 Replies
6913 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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hyperpolarizability
Started by onthefly |
0 Replies
6528 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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8 Replies
16375 Views |
July 03, 2008, 08:52:21 AM by christof.haettig |
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