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1 Replies
6057 Views |
January 20, 2011, 02:21:59 PMby christof.haettig |
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1 Replies
4306 Views |
May 25, 2021, 11:55:15 AM by chris.hol |
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5 Replies
15503 Views |
March 07, 2007, 07:01:52 PM by dimi |
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2 Replies
8180 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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uncoupled polarizabilities
Started by ccsdt |
1 Replies
6669 Views |
September 14, 2009, 09:24:46 AM by christof.haettig |
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triplets-spin contamination
Started by milianb |
0 Replies
7138 Views |
June 01, 2007, 11:38:31 AM by milianb |
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triplet excitations with dft and hf
Started by motago |
2 Replies
8220 Views |
February 27, 2009, 01:26:02 AM by motago |
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1 Replies
5426 Views |
November 20, 2015, 03:52:19 PM by christof.haettig |
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transition dipole moment
Started by arek1arek |
3 Replies
9736 Views |
September 14, 2009, 09:19:57 AM by christof.haettig |
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TPSS supported by escf?
Started by marius |
2 Replies
7388 Views |
December 13, 2010, 04:13:30 PM by barbatti |
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total dipole moment in egrad output
Started by tmartin |
1 Replies
6346 Views |
October 10, 2014, 11:25:12 AM by tmartin |
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0 Replies
3782 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
4442 Views |
June 09, 2017, 09:34:59 AM by Punix |
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TDDFT with B97-3c
Started by luyj |
0 Replies
2959 Views |
June 12, 2020, 06:22:55 PM by luyj |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
4523 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
11220 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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TDDFT cosmo
Started by jbaltrus |
0 Replies
5214 Views |
October 02, 2010, 01:56:30 AM by jbaltrus |
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TDDFT calculations using b3-lyp functional
Started by golden |
1 Replies
7352 Views |
September 15, 2012, 09:42:11 PM by Christof |
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3 Replies
7205 Views |
May 08, 2012, 03:27:25 PM by e.berardo |
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TD DFT - excited state natural orbitals
Started by qadir |
5 Replies
9951 Views |
March 19, 2020, 04:28:02 PM by finrod |
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