acronyms
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acronyms [2017/08/31 19:37] – oschuett | acronyms [2019/12/17 16:01] – oschuett | ||
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| BSSE | Basis Set Superposition Error | | | BSSE | Basis Set Superposition Error | | ||
| CDFT | Constrained Density Functional Theory | | CDFT | Constrained Density Functional Theory | ||
+ | | CDFT-CI | ||
| CG | Conjugated Gradients algorithm | | CG | Conjugated Gradients algorithm | ||
| CHARMM | | CHARMM | ||
Line 23: | Line 24: | ||
| DFTB | Density Functional Tight Binding | | DFTB | Density Functional Tight Binding | ||
| DFT | Density Functional Theory | | DFT | Density Functional Theory | ||
+ | | DFET | Density Functional Embedding Theory | ||
| DIIS | Direct Inversion of the Iterative Subspace | | DIIS | Direct Inversion of the Iterative Subspace | ||
| DOS | Density Of States | | DOS | Density Of States | ||
Line 83: | Line 85: | ||
| PM3 | Parameterized Model number 3 | | | PM3 | Parameterized Model number 3 | | ||
| PM6 | Parameterized Model number 6 | | | PM6 | Parameterized Model number 6 | | ||
+ | | POD | Projection-Operator Diabatization | ||
| PP | Pseudo-Potential | | PP | Pseudo-Potential | ||
| PW | Plane Waves | | | PW | Plane Waves | | ||
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| TRS4 | TRace reSetting 4th order scheme | | TRS4 | TRace reSetting 4th order scheme | ||
| UFF | Universal Force Field | | | UFF | Universal Force Field | | ||
+ | | XAS | X-ray Absorption Spectra | ||
| XC | eXchange and Correlation functional | | XC | eXchange and Correlation functional | ||
| ZMP | Zhao-Morrison-Parr potential | | ZMP | Zhao-Morrison-Parr potential |
acronyms.txt · Last modified: 2023/07/21 09:42 by oschuett