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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
5938 Views |
April 15, 2013, 11:01:05 AMby olga |
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hyperpolarizability
Started by onthefly |
0 Replies
6031 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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1 Replies
7203 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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Egrad
Started by Pandiselvi |
2 Replies
1158 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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Spin-Orbit coupling
Started by plato |
0 Replies
6366 Views |
April 30, 2009, 10:38:58 PM by plato |
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electrostatic properties of excited states
Started by plato |
0 Replies
5440 Views |
June 19, 2009, 01:44:00 PM by plato |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
3779 Views |
June 09, 2017, 09:34:59 AM by Punix |
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1 Replies
6367 Views |
July 24, 2012, 02:03:58 PM by pwzhou |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
8854 Views |
March 19, 2020, 04:28:02 PM by finrod |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
1135 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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1 Replies
4868 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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0 Replies
3031 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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1 Replies
3773 Views |
August 29, 2019, 04:03:21 PM by finrod |
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1 Replies
5375 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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3 Replies
8458 Views |
May 21, 2008, 02:52:24 PM by uwe |
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Error message from ESCF
Started by slackenerny |
3 Replies
9012 Views |
August 06, 2010, 09:15:23 PM by uwe |
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1 Replies
8001 Views |
February 26, 2007, 08:53:26 AM by uwe |
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egrad error: nfun > 10
Started by sv |
4 Replies
8061 Views |
December 21, 2007, 11:43:47 AM by uwe |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
5534 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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1 Replies
5669 Views |
February 09, 2009, 09:30:32 AM by uwe |
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