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Finding transition state @ RI-MP2
Started by ztehrani |
7 Replies
8622 Views |
April 26, 2015, 06:28:49 AMby ztehrani |
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Extra relaxed calculations.
Started by Addiw7 |
3 Replies
6352 Views |
March 28, 2013, 09:59:53 AM by Arnim |
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1 Replies
3919 Views |
July 06, 2023, 02:04:02 PM by christof.haettig |
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External electrostatic field
Started by djelenfi |
0 Replies
2595 Views |
February 17, 2020, 08:22:41 PM by djelenfi |
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Excited states with CCSD again
Started by marand |
1 Replies
5721 Views |
November 23, 2012, 09:39:25 AM by evgeniy |
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Excited states with CCSD
Started by evgeniy |
0 Replies
5190 Views |
September 12, 2012, 12:10:08 PM by evgeniy |
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excited states RICC2 – symmetry issue
Started by Alex_V |
4 Replies
7980 Views |
November 18, 2010, 05:41:19 PM by christof.haettig |
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1 Replies
5317 Views |
May 07, 2015, 01:34:04 AM by Rafał Bachorz |
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1 Replies
7509 Views |
April 19, 2008, 10:10:37 PM by uwe |
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1 Replies
6390 Views |
July 18, 2013, 04:57:12 PM by uwe |
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8 Replies
11397 Views |
January 13, 2012, 03:33:44 PM by Arnim |
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Efficiency of RICC2_smp
Started by mradon |
2 Replies
5569 Views |
July 29, 2011, 02:16:44 PM by mradon |
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1 Replies
7155 Views |
February 10, 2010, 04:12:01 PM by christof.haettig |
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Dipole moment of Excited States with CC2
Started by pietd0 |
1 Replies
5498 Views |
September 02, 2014, 09:56:14 AM by Arnim |
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2 Replies
2794 Views |
August 05, 2023, 04:51:11 PM by Pmandal123@ |
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dipole moment for the ground state
Started by iamxyj |
0 Replies
4403 Views |
November 29, 2011, 11:24:51 AM by iamxyj |
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dimension too large error?
Started by sazabi |
2 Replies
6604 Views |
May 09, 2010, 07:26:11 PM by sazabi |
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Diagnostics for SCS-MP2 calculation
Started by mariavd |
2 Replies
4876 Views |
July 26, 2017, 11:44:20 AM by mariavd |
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D2 diagnostic in CC2
Started by evgeniy |
2 Replies
6328 Views |
January 06, 2012, 01:58:20 PM by mradon |
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1 Replies
5469 Views |
November 18, 2019, 11:26:00 AM by christof.haettig |
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