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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
4552 Views |
April 09, 2013, 10:59:04 PMby Addiw7 |
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TDDFT with B97-3c
Started by luyj |
0 Replies
1634 Views |
June 12, 2020, 06:22:55 PM by luyj |
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Spin-Orbit coupling
Started by plato |
0 Replies
6285 Views |
April 30, 2009, 10:38:58 PM by plato |
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electrostatic properties of excited states
Started by plato |
0 Replies
5410 Views |
June 19, 2009, 01:44:00 PM by plato |
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0 Replies
2978 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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0 Replies
4687 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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gradient evaluation error
Started by wasif |
0 Replies
3481 Views |
June 01, 2018, 05:12:29 AM by wasif |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
4480 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3283 Views |
March 14, 2018, 10:56:15 AM by marcen |
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twoint empty
Started by jbaltrus |
0 Replies
3959 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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Symmetry of excited states
Started by dcav |
0 Replies
3542 Views |
December 10, 2017, 12:45:02 PM by dcav |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
3745 Views |
June 09, 2017, 09:34:59 AM by Punix |
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0 Replies
4160 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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0 Replies
4476 Views |
June 26, 2012, 12:24:47 PM by martijn |
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How can I get transition density?
Started by ylniu |
0 Replies
5777 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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COSMO and TDDFT
Started by oana |
0 Replies
5127 Views |
February 19, 2008, 11:40:09 AM by oana |
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0 Replies
5580 Views |
May 16, 2008, 04:28:16 PM by wiking |
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hyperpolarizability
Started by onthefly |
0 Replies
5998 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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0 Replies
4726 Views |
February 06, 2015, 02:00:28 PM by Leprechaum |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
580 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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