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RI-CC2 excitation calculation
Started by philippt |
3 Replies
7635 Views |
November 20, 2015, 02:32:24 PMby christof.haettig |
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ricc2 -level cc2
Started by Pfister |
2 Replies
8144 Views |
December 08, 2008, 09:45:32 AM by Pfister |
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NumForce -level cc2 ground state ??
Started by Pfister |
1 Replies
6892 Views |
December 10, 2008, 10:17:09 AM by andreas |
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ricc2 and cosmo solvation model
Started by oliver |
1 Replies
7640 Views |
November 16, 2007, 06:06:57 PM by christof.haettig |
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2 Replies
4510 Views |
November 18, 2019, 11:34:16 AM by christof.haettig |
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1 Replies
5241 Views |
May 18, 2012, 11:34:50 AM by uwe |
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cc2 excited energies
Started by Nikitina |
5 Replies
9436 Views |
December 07, 2009, 01:37:27 PM by olehtone |
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MP2 for woelfling-job?
Started by nesquik91 |
1 Replies
2469 Views |
July 29, 2020, 10:39:42 AM by Arnim |
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Efficiency of RICC2_smp
Started by mradon |
2 Replies
5654 Views |
July 29, 2011, 02:16:44 PM by mradon |
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suggestion: a new diagnostic in CCSD
Started by mradon |
1 Replies
5216 Views |
August 11, 2011, 05:56:54 PM by christof.haettig |
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CC2 natural orbitals/occupations on file
Started by mpjohans |
1 Replies
7807 Views |
September 17, 2008, 12:42:29 PM by mpjohans |
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2 Replies
9305 Views |
March 27, 2009, 02:34:28 PM by christof.haettig |
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Restating failure
Started by Molcasito |
1 Replies
5934 Views |
June 01, 2010, 04:50:45 PM by Arnim |
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4 Replies
7075 Views |
April 09, 2014, 11:52:41 PM by mike |
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Numerical Geometry Optimization for CCSD(T)
Started by mike |
4 Replies
8557 Views |
September 25, 2015, 02:20:24 PM by christof.haettig |
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1 Replies
7242 Views |
February 10, 2010, 04:12:01 PM by christof.haettig |
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First hyperpolarizability
Started by mehboob |
1 Replies
3228 Views |
July 06, 2023, 01:47:38 PM by christof.haettig |
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Two-photon absorption using RI-CC2
Started by mehboob |
2 Replies
5251 Views |
December 22, 2020, 06:02:39 AM by mehboob |
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1 Replies
6902 Views |
December 10, 2008, 10:10:48 AM by andreas |
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1 Replies
9240 Views |
August 25, 2007, 05:38:26 PM by christof.haettig |
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