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Merge pull request #249 from TheoChem-VU/245-add-missing-citations-fo…
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…r-some-functionals

Added missing references for some D3/D3BJ parametrization
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SiebeLeDe authored May 25, 2024
2 parents e1f1693 + 3ebbcc6 commit 4636b98
Showing 1 changed file with 10 additions and 8 deletions.
18 changes: 10 additions & 8 deletions src/tcutility/data/available_functionals.txt
Original file line number Diff line number Diff line change
Expand Up @@ -184,22 +184,22 @@ DoubleHybrid
- B2GPPLYP-D3
- B2NCPLYP-D3
- mPW2NCPLYP-D3
- PBE0-DH-D3 [Bremond2011][Grimme2010]
- PBE0-DH-D3 [Bremond2011][Grimme2010][Goerigk2014]
- PBE-QIDH-D3
- LS1-DH-D3
- PBE0-2-D3
- LS1-TPSS-D3
- B2PLYP-D3(BJ) [Grimme2006b][Grimme2011]
- B2PIPLYP-D3(BJ) [SanchoGarcia2009][Grimme2011]
- B2PIPLYP-D3(BJ) [SanchoGarcia2009][Grimme2011][Forster2020]
- ROB2PLYP-D3(BJ)
- B2TPLYP-D3(BJ) [Tarnopolsky2008][Grimme2011]
- B2TPLYP-D3(BJ) [Tarnopolsky2008][Grimme2011][Forster2020]
- B2GPPLYP-D3(BJ)
- B2KPLYP-D3(BJ)
- B2KPLYP-D3(BJ) [Forster2020]
- B2NCPLYP-D3(BJ)
# - mPW2PLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.400 PAR2=0.3065 PAR3=0.9147 PAR4=5.057'
- mPW2NCPLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.385 PAR2=-0.493 PAR3=0.0 PAR4=9.529'
- mPW2KPLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.490 PAR2=0.306 PAR3=0.915 PAR4=5.057'
- DH-BLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.488 PAR2=0.306 PAR3=0.915 PAR4=5.057'
- mPW2NCPLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.385 PAR2=-0.493 PAR3=0.0 PAR4=9.529' [Forster2020]
- mPW2KPLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.490 PAR2=0.306 PAR3=0.915 PAR4=5.057' [Forster2020]
- DH-BLYP-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.488 PAR2=0.306 PAR3=0.915 PAR4=5.057' [Forster2020]
- PBE0-DH-D3(BJ), 'GRIMME3 BJDAMP PAR1=0.880 PAR2=0.000 PAR3=0.165 PAR4=6.385' [Bremond2011][Grimme2011]
- PBE-QIDH-D3(BJ)
- LS1-DH-D3(BJ)
Expand Down Expand Up @@ -322,5 +322,7 @@ Model
[Furness2020] 10.1021/acs.jpclett.0c02405
[Furness2020b] 10.1021/acs.jpclett.0c03077
[Bartok2019] 10.1063/1.5094646
[Goerigk2014] 10.1002/wcms.1193
[Goerigk2017] 10.1039/C7CP04913G
[Ehlert2021] 10.1063/5.0041008
[Ehlert2021] 10.1063/5.0041008
[Forster2020] 10.1002/jcc.26209

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