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Last post  |
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rimp2 optimization of O2
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dlchen
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2
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1796
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November 24, 2009, 12:19:57 PM
by christof.haettig
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mp2 population analysis
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lyzhu
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1
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762
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September 22, 2009, 08:19:07 AM
by Arnim
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BSSE problem with Iodine (problem with ECP/$freeze?)
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Tiuri
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1
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696
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September 07, 2009, 03:36:52 PM
by Arnim
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jobbsse rimp2 calcuation in Turbomole 6.0
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lyzhu
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1
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1245
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June 15, 2009, 01:01:46 PM
by christof.haettig
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jobbsse with rimp2 employing ecps (TM 5.91)
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Stefan
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6
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4942
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January 11, 2009, 12:39:24 PM
by christof.haettig
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RI-SCS-MP2 optimization
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kabel999
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3
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2532
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January 11, 2009, 12:35:24 PM
by christof.haettig
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jobbsse without frozen core for MP2
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Stefan
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2
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2201
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May 16, 2008, 01:05:29 PM
by Stefan
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SCS RI-MP2
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Wheely
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1
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2600
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February 22, 2008, 06:08:48 PM
by Arnim
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calculation ri-mp2/aug-cc-pVTZ for the second period
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juanjo
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7
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3561
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January 29, 2008, 05:08:00 PM
by juanjo
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Unexpected RI-MP2 single-point energy after optimization
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gojimeo
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3
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2457
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December 05, 2007, 01:36:33 PM
by gojimeo
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Structure Optimization employing rijk (HF) and rimp2
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Stefan
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5
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3161
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October 19, 2007, 02:45:37 PM
by Stefan
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Structure Optimization with SCS-MP2
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Stefan
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2
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2416
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September 25, 2007, 03:02:25 PM
by Stefan
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AUXBASIS RI
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monika
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2
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2414
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September 05, 2007, 11:24:42 AM
by christof.haettig
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Problem with Mpgrad
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tomasz
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4
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3272
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February 13, 2007, 10:22:17 PM
by tomasz
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