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CCSD single and doubles amplitudes
Started by prasanta13 |
1 Replies
2767 Views |
March 24, 2024, 05:02:11 PMby christof.haettig |
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1 Replies
2792 Views |
October 12, 2023, 09:16:32 PM by Robin1991 |
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Two particle density matrix generation
Started by prasanta13 |
1 Replies
2815 Views |
March 24, 2024, 04:58:58 PM by christof.haettig |
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KS-CCSD, KS-CCSD(F12), KS-CCSD(T)(F12)
Started by JakubV |
1 Replies
2997 Views |
May 16, 2023, 12:10:06 PM by Arnim |
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CCSDF12 for SO2 - basis set?
Started by fhim300 |
3 Replies
3024 Views |
January 16, 2024, 04:15:20 PM by yannickf |
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1 Replies
3434 Views |
March 24, 2024, 05:13:05 PM by christof.haettig |
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1 Replies
3492 Views |
March 24, 2024, 05:15:16 PM by christof.haettig |
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3 Replies
4325 Views |
June 22, 2021, 02:20:27 PM by Arnim |
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4 Replies
5989 Views |
March 24, 2024, 05:23:02 PM by christof.haettig |
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cbas for uranium
Started by tonyst |
0 Replies
7941 Views |
February 19, 2018, 01:51:01 PM by tonyst |
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Rijk basis set for argon
Started by mariavd |
1 Replies
7975 Views |
September 21, 2016, 10:27:55 AM by gunnar.schmitz |
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restart of a ccsd(t) calc that hit walltime
Started by Punix |
2 Replies
8741 Views |
March 13, 2017, 09:52:14 AM by Punix |
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