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triplets-spin contamination
Started by milianb |
0 Replies
24693 Views |
June 01, 2007, 11:38:31 AMby milianb |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
17858 Views |
March 14, 2018, 10:56:15 AM by marcen |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
17300 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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gradient evaluation error
Started by wasif |
0 Replies
17955 Views |
June 01, 2018, 05:12:29 AM by wasif |
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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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0 Replies
16034 Views |
June 26, 2012, 12:24:47 PM by martijn |
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electrostatic properties of excited states
Started by plato |
0 Replies
19470 Views |
June 19, 2009, 01:44:00 PM by plato |
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0 Replies
17843 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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How to switch off the XC kernel?
Started by JohnZhou_case |
0 Replies
22088 Views |
April 18, 2022, 09:10:23 PM by JohnZhou_case |
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How can I get transition density?
Started by ylniu |
0 Replies
20620 Views |
March 10, 2009, 12:01:10 AM by ylniu |
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Spin-Orbit coupling
Started by plato |
0 Replies
20929 Views |
April 30, 2009, 10:38:58 PM by plato |
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TDDFT with B97-3c
Started by luyj |
0 Replies
17658 Views |
June 12, 2020, 06:22:55 PM by luyj |
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twoint empty
Started by jbaltrus |
0 Replies
16221 Views |
June 22, 2011, 03:44:54 PM by jbaltrus |
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0 Replies
17592 Views |
March 22, 2010, 04:59:41 PM by kmlin |
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0 Replies
21891 Views |
May 16, 2008, 04:28:16 PM by wiking |
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Symmetry of excited states
Started by dcav |
0 Replies
17957 Views |
December 10, 2017, 12:45:02 PM by dcav |
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Combining population analysis and ricc2.
Started by Addiw7 |
0 Replies
16222 Views |
April 09, 2013, 10:59:04 PM by Addiw7 |
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0 Replies
18594 Views |
September 21, 2016, 10:43:17 AM by Xiaoyan |
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NTO Generation of X2C Calculations
Started by hherbol |
0 Replies
18543 Views |
October 28, 2024, 09:19:21 PM by hherbol |
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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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