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Basis set modification after 'blowup'
Started by luyj |
1 Replies
4385 Views |
September 30, 2015, 10:37:33 AMby christof.haettig |
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0 Replies
4316 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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1 Replies
4101 Views |
September 25, 2015, 01:25:23 PM by christof.haettig |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
4089 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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cbas for lanthanides
Started by ChristophM |
0 Replies
4010 Views |
November 19, 2013, 09:14:02 AM by ChristophM |
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PEECM calculations
Started by helali |
0 Replies
3988 Views |
November 16, 2015, 01:43:19 PM by helali |
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Alternate SCF algorithms?
Started by jad1507 |
0 Replies
3872 Views |
May 07, 2021, 12:05:20 PM by jad1507 |
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0 Replies
3791 Views |
June 10, 2014, 10:48:40 PM by vspata0 |
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Global Minimum
Started by kiranb |
0 Replies
3720 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
3640 Views |
November 29, 2023, 06:23:41 PM by uwe |
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1 Replies
3556 Views |
March 10, 2022, 09:56:35 AM by uwe |
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Evib module question
Started by akolio |
1 Replies
3208 Views |
October 24, 2022, 02:42:10 PM by akolio |
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Keywords for density matrix, fock matrix
Started by Amin |
2 Replies
3156 Views |
June 22, 2023, 03:38:22 PM by Amin |
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3 Replies
3147 Views |
May 01, 2023, 07:39:51 PM by uwe |
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1 Replies
3060 Views |
February 13, 2023, 02:58:39 PM by uwe |
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0 Replies
2985 Views |
January 26, 2023, 04:06:37 PM by ym21d@fsu.edu |
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1 Replies
2942 Views |
April 05, 2023, 07:16:02 PM by uwe |
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0 Replies
2908 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
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