adf:functionallist
ADF泛函列表
- LDA
- GGA
- BLYP
- BP86
- HTBS
- mPW
- mPBE
- N12
- OLYP
- OPBE
- PBE
- PBEsol
- PW91
- revPBE
- RPBE
- GGA色散修正
- BLYP-D
- BP86-D
- PBE-D
- PBEsol-D
- SSB-D
- BLYP-D3
- BP86-D3
- PBE-D3
- PBEsol-D3
- revPBE-D3
- RPBE-D3
- S12g-D3
- BLYP-D3(BJ)
- BP-D3(BJ)
- PBE-D3(BJ)
- PBEsol-D3(BJ)
- revPBE-D3(BJ)
- BLYP-dDsC
- BP-dDsC
- PBE-dDsC
- revPBE-dDsC
- PBE-MBD@rsSC
- PW91-dUFF
- PBE-dUFF
- MetaGGA
- M06L
- MN15-L
- MVS
- revTPSS
- SCAN
- SSB-D
- TPSS
- TPSS-D3
- TPSS-D3(BJ)
- 模型势
- GRAC
- LB94
- SAOP
- Hybrid
- B1LYP
- B1PW91
- B3LYP
- B3LYP*
- B3LYP-D
- B3LYP-D3
- B3LYP-dDsC
- B3LYP-D3(BJ)
- B3LYP-dUFF
- BHandH
- BHandHLYP
- BHandHLYP-dDsC
- KMLYP
- MPW1PW
- MPW1K
- O3LYP
- OPBE0
- PBE0
- PBE0-dDsC
- PBE0-MBD@rsSC
- S12h-D3
- X3LYP
- MetaHybrid
- MN15
- M06
- M06-2X
- M06-HF
- TPSSH
- Range Separated
- LCY-BLYP
- LCY-BP86
- LCY-PBE
- CAM-B3LYP
- CAMY-B3LYP
- HSE03
- HSE06
- M11
- MN12-SX
- N12-SX
- WB97
- WB97X
- 其他：HJS-B97X, HJS-PBE and HJS-PBESOL
BAND泛函列表
- LDA
- GGA
- BLYP
- BP86
- GAM
- HTBS
- mPW
- mPBE
- N12
- OLYP
- OPBE
- PBE
- PBEsol
- PW91
- revPBE
- RPBE
- MetaGGA
- M06L
- MN15-L
- MVS
- revTPSS
- SCAN
- SSB-D
- TPSS
- TPSS-D3
- TPSS-D3(BJ)
- GGA色散修正
- BLYP-D
- BP86-D
- PBE-D
- PBEsol-D
- SSB-D
- BLYP-D3
- BP86-D3
- PBE-D3
- PBEsol-D3
- revPBE-D3
- RPBE-D3
- S12g-D3
- BLYP-D3(BJ)
- BP-D3(BJ)
- PBE-D3(BJ)
- PBEsol-D3(BJ)
- revPBE-D3(BJ)
- PW91-dUFF
- PBE-dUFF
- 模型势
- LB94
- TB-mBJ
- KTB-mBJ
- JTS-mTB-mBJ
- GLLB-SC
- Range Separated
- HSE03
- HSE06
adf/functionallist.txt · 最后更改: 2017/04/07 18:08 由 liu.jun