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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
36532 Views |
March 19, 2020, 04:28:02 PMby finrod |
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Symmetry of excited states
Started by dcav |
0 Replies
17796 Views |
December 10, 2017, 12:45:02 PM by dcav |
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4 Replies
32830 Views |
September 23, 2021, 11:10:58 PM by martijn |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
17677 Views |
March 14, 2018, 10:56:15 AM by marcen |
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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
19471 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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Spin-Orbit coupling
Started by plato |
0 Replies
20758 Views |
April 30, 2009, 10:38:58 PM by plato |
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SOC Constants
Started by hherbol |
4 Replies
29292 Views |
June 12, 2025, 04:43:56 PM by hherbol |
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4 Replies
36889 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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singlet excitation
Started by lsikk |
4 Replies
36455 Views |
June 05, 2007, 11:37:44 AM by lsikk |
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5 Replies
39130 Views |
March 10, 2009, 12:30:48 AM by ylniu |
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1 Replies
17692 Views |
March 08, 2012, 02:23:14 PM by antti_karttunen |
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rigw_contour vs rigw vs GW
Started by martijn |
5 Replies
32410 Views |
August 01, 2020, 11:40:08 AM by chris.hol |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
19705 Views |
April 15, 2013, 11:01:05 AM by olga |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
25745 Views |
April 23, 2021, 10:45:55 AM by martijn |
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problems with S1 optimization
Started by jc3 |
1 Replies
23275 Views |
October 23, 2008, 01:03:43 PM by Arnim |
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3 Replies
22652 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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Problem with EGRAD
Started by mimonge |
2 Replies
19140 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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8 Replies
48361 Views |
July 03, 2008, 08:52:21 AM by christof.haettig |
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1 Replies
25478 Views |
April 05, 2024, 03:42:52 PM by yannickf |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
27236 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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