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singlet excitation
Started by lsikk |
4 Replies
9178 Views |
June 05, 2007, 11:37:44 AMby lsikk |
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4 Replies
14973 Views |
April 21, 2016, 04:04:03 PM by JakubV |
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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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Strange excitations while using desy
Started by Kwiatkowski |
1 Replies
4564 Views |
October 01, 2015, 10:34:26 AM by christof.haettig |
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Subsequent Escf runs - How to?
Started by marcen |
0 Replies
3326 Views |
March 14, 2018, 10:56:15 AM by marcen |
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4 Replies
1474 Views |
September 23, 2021, 11:10:58 PM by martijn |
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Symmetry of excited states
Started by dcav |
0 Replies
3576 Views |
December 10, 2017, 12:45:02 PM by dcav |
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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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3 Replies
6325 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
6627 Views |
September 15, 2012, 09:42:11 PM by Christof |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
4516 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
10414 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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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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TDDFT with B97-3c
Started by luyj |
0 Replies
1698 Views |
June 12, 2020, 06:22:55 PM by luyj |
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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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0 Replies
3031 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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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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TPSS supported by escf?
Started by marius |
2 Replies
6588 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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transition dipole moment
Started by arek1arek |
3 Replies
8913 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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1 Replies
4707 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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