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triplets-spin contamination
Started by milianb |
0 Replies
7022 Views |
June 01, 2007, 11:38:31 AMby milianb |
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Problem with EGRAD
Started by mimonge |
2 Replies
6132 Views |
July 12, 2012, 10:36:57 AM by mimonge |
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3 Replies
6462 Views |
May 28, 2012, 04:58:43 PM by mimonge |
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2 Replies
7757 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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triplet excitations with dft and hf
Started by motago |
2 Replies
8101 Views |
February 27, 2009, 01:26:02 AM by motago |
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COSMO and TDDFT
Started by oana |
0 Replies
5956 Views |
February 19, 2008, 11:40:09 AM by oana |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
6583 Views |
April 15, 2013, 11:01:05 AM by olga |
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hyperpolarizability
Started by onthefly |
0 Replies
6656 Views |
July 24, 2008, 10:31:29 AM by onthefly |
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1 Replies
7823 Views |
August 23, 2016, 03:03:00 AM by JakubV |
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Egrad
Started by Pandiselvi |
2 Replies
4096 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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electrostatic properties of excited states
Started by plato |
0 Replies
6081 Views |
June 19, 2009, 01:44:00 PM by plato |
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Spin-Orbit coupling
Started by plato |
0 Replies
7096 Views |
April 30, 2009, 10:38:58 PM by plato |
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Temperature of Raman scatt. cross sections
Started by Punix |
0 Replies
4374 Views |
June 09, 2017, 09:34:59 AM by Punix |
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1 Replies
7049 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
9867 Views |
March 19, 2020, 04:28:02 PM by finrod |
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TDDFT Transition Dipole Reference
Started by robagl9695 |
2 Replies
4022 Views |
June 03, 2021, 10:28:34 PM by robagl9695 |
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1 Replies
5494 Views |
October 01, 2015, 10:54:00 AM by christof.haettig |
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0 Replies
3709 Views |
April 02, 2019, 10:46:52 AM by rvaliev |
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1 Replies
4605 Views |
August 29, 2019, 04:03:21 PM by finrod |
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1 Replies
5970 Views |
January 20, 2011, 02:21:59 PM by christof.haettig |
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