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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3424 Views |
September 15, 2022, 10:35:28 AMby t-iwasa |
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1 Replies
8643 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
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0 Replies
3195 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9363 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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Visualization
Started by Gopakumar |
2 Replies
9946 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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1 Replies
7371 Views |
August 12, 2011, 09:43:25 AM by christof.haettig |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19866 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
5965 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
5409 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
3797 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
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1 Replies
3882 Views |
August 26, 2021, 10:07:16 AM by Arnim |
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x2t convergence factor
Started by klickklack |
1 Replies
8044 Views |
February 25, 2009, 03:17:22 PM by uwe |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
6 Replies
6724 Views |
December 25, 2023, 09:51:28 PM by shafikoff |
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