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calculating charges on excited state
Started by sv |
1 Replies
7083 Views |
April 15, 2008, 04:40:56 PMby christof.haettig |
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differential density
Started by arek1arek |
1 Replies
8285 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
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option -proper
Started by arek1arek |
3 Replies
9538 Views |
March 14, 2008, 05:30:48 PM by uwe |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7851 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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quadrupole moments
Started by a.karl |
1 Replies
10215 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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LCAO coefficients
Started by Gopakumar |
0 Replies
6110 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
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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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readable RIMP2 spin density
Started by tom77 |
1 Replies
6317 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5619 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8244 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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atomic electron density
Started by dinos |
1 Replies
6996 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
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Generating .plt file
Started by dps17 |
2 Replies
7841 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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Visualization
Started by Gopakumar |
2 Replies
9945 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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