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5 Replies
13070 Views |
March 10, 2009, 12:30:48 AMby ylniu |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
4554 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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4 Replies
14893 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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transition dipole moment
Started by arek1arek |
3 Replies
8868 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
10376 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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1 Replies
6734 Views |
August 02, 2013, 03:48:13 PM by uwe |
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2 Replies
7314 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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6 Replies
9212 Views |
May 16, 2013, 02:56:33 PM by Hauke |
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3 Replies
7173 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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Parallel version?
Started by cb |
1 Replies
6626 Views |
September 21, 2007, 11:38:21 PM by turbomaster |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
5873 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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escf for open-shell
Started by cdicker2 |
2 Replies
1528 Views |
August 27, 2020, 01:18:33 AM by cdicker2 |
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Symmetry of excited states
Started by dcav |
0 Replies
3543 Views |
December 10, 2017, 12:45:02 PM by dcav |
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1 Replies
8265 Views |
November 24, 2009, 08:30:48 PM by antti_karttunen |
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2 Replies
7616 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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3 Replies
6278 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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not enough core memory escf
Started by e.berardo |
3 Replies
6186 Views |
July 12, 2013, 04:44:21 PM by e.berardo |
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3 Replies
6460 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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Egrad with TPSSH-functional
Started by fkreu |
1 Replies
1555 Views |
July 14, 2020, 05:44:52 PM by Arnim |
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can escf run in parallel?
Started by golden |
1 Replies
4447 Views |
February 28, 2012, 07:47:33 AM by antti_karttunen |
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