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S^2 approximation in SAPT induction
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|
2
|
477
|
February 14, 2022
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How to use 6-31+g(d,p) basis set in SAPT2 calculation of cobalt complexes in psi4?
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3
|
846
|
January 13, 2022
|
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Basis set recommendation for the SAPT(DFT) method
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2
|
545
|
November 26, 2021
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|
SCF Convergence
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0
|
449
|
November 10, 2021
|
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Psi4, output .wfx file from SAPT
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2
|
568
|
October 20, 2021
|
|
GRAC shift calculation clarification for SAPT-DFT
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3
|
966
|
September 29, 2021
|
|
Memory problem in SAPT calculation
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|
2
|
559
|
August 26, 2021
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Is SAPT2+ supported via psi4.sapt()?
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1
|
522
|
July 26, 2021
|
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Fsapt.py crashes
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7
|
818
|
July 7, 2021
|
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Force between atoms by SAPT
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|
3
|
741
|
July 1, 2021
|
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Question about sapt
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0
|
547
|
June 28, 2021
|
|
SAPT level suitable for halogenated molecules
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|
6
|
690
|
June 25, 2021
|
|
Huge induction energy in FI-SAPT0
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|
3
|
935
|
April 10, 2021
|
|
Quesionts about fisapt0 input
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|
3
|
665
|
June 6, 2021
|
|
Psi4 SAPT0 calculation was interrupted without error message
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|
5
|
655
|
April 2, 2021
|
|
SAPT0 crashed without error message
|
|
2
|
589
|
March 29, 2021
|
|
SAPT - computing time questions
|
|
5
|
984
|
March 11, 2021
|
|
RuntimeError SAPT Calculation in a cluster
|
|
10
|
1021
|
March 4, 2021
|
|
FI-SAPT for Radicals
|
|
1
|
471
|
March 3, 2021
|
|
A question about Psi4 Input file
|
|
5
|
1165
|
February 17, 2021
|
|
How to perform A-SAPT?
|
|
2
|
735
|
February 1, 2021
|
|
Calculation of the interaction energy by the fi-sapt method
|
|
9
|
1494
|
March 14, 2021
|
|
Regarding SAPT Calculation in Psi4
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|
2
|
1053
|
January 8, 2021
|
|
SAPT_DFT segmentation error
|
|
6
|
887
|
December 1, 2020
|
|
PSI SAP0 Calculation -- ignore delta-HF calculations
|
|
1
|
576
|
November 19, 2020
|
|
Basis set SAPT0
|
|
3
|
713
|
November 17, 2020
|
|
PSI4 Error in memory
|
|
9
|
2314
|
October 13, 2020
|
|
Problem with SAPT calculations for platinum complexes
|
|
11
|
1132
|
October 7, 2020
|
|
The calculation of SAPT2+ fail, Fatal Error: PSIO Error
|
|
8
|
1709
|
October 7, 2020
|
|
SAPT2+(3)dMP2 unspecified charge
|
|
2
|
631
|
October 3, 2020
|