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TDDFT Transition Dipole Reference
Started by robagl9695 |
3 Replies
84263 Views |
September 03, 2025, 04:55:53 PMby hherbol |
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BSE excitation calculations
Started by martijn |
3 Replies
52429 Views |
August 05, 2020, 11:42:58 AM by chris.hol |
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3 Replies
59020 Views |
May 21, 2008, 02:52:24 PM by uwe |
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Error message from ESCF
Started by slackenerny |
3 Replies
51536 Views |
August 06, 2010, 09:15:23 PM by uwe |
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3 Replies
48614 Views |
May 18, 2013, 11:55:51 AM by antti_karttunen |
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3 Replies
51387 Views |
October 21, 2015, 10:51:43 PM by christof.haettig |
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2 Replies
44103 Views |
December 09, 2011, 06:22:34 PM by biophys2012 |
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Two-photon absorption and COSMO
Started by dpleft |
2 Replies
59298 Views |
July 25, 2025, 06:36:48 PM by dpleft |
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2 Replies
78644 Views |
March 31, 2008, 11:51:31 AM by christof.haettig |
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qsGW vs evGW convergence
Started by martijn |
2 Replies
78473 Views |
April 23, 2021, 10:45:55 AM by martijn |
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egrad density difference (ed.plt)
Started by Helph |
2 Replies
64955 Views |
April 15, 2024, 09:39:25 AM by Helph |
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Egrad
Started by Pandiselvi |
2 Replies
67990 Views |
March 24, 2023, 04:54:41 PM by Pingping |
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2 Replies
43419 Views |
February 05, 2015, 06:48:12 PM by Jerry |
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exited state polarizability
Started by lsikk |
2 Replies
74905 Views |
March 27, 2009, 02:57:09 PM by christof.haettig |
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Re and Im part for dynamic polarizability
Started by olga |
2 Replies
57725 Views |
April 15, 2013, 11:01:05 AM by olga |
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Modification of revM11
Started by marand |
2 Replies
54727 Views |
July 12, 2023, 09:29:10 AM by marand |
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Permanent dipole moment excited states
Started by dpleft |
2 Replies
55003 Views |
June 27, 2023, 06:49:43 PM by dpleft |
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triplet excitations with dft and hf
Started by motago |
2 Replies
80225 Views |
February 27, 2009, 01:26:02 AM by motago |
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TDDFT excited state optimization fails
Started by basklau |
2 Replies
54410 Views |
July 26, 2016, 05:48:20 PM by JakubV |
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2 Replies
46899 Views |
December 16, 2009, 10:48:08 AM by Stephan |
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