acronyms
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| acronyms [2017/01/30 22:58] – oschuett | acronyms [2019/12/17 17:21] – 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 33: | Line 35: | ||
| | FCC | Face-Centered Cubic crystal structure | | FCC | Face-Centered Cubic crystal structure | ||
| | FIST | Frontiers In Simulation Technology (CP2K' | | FIST | Frontiers In Simulation Technology (CP2K' | ||
| + | | FPGA | Field Programmable Gate Array | | ||
| | GAPW | Gaussian Augmented-Plane Waves method | | GAPW | Gaussian Augmented-Plane Waves method | ||
| | GEEP | Gaussian Expansion of the Electrostatic Potential | | GEEP | Gaussian Expansion of the Electrostatic Potential | ||
| Line 56: | Line 59: | ||
| | MD | Molecular Dynamics | | MD | Molecular Dynamics | ||
| | MM | Molecular Mechanics | | MM | Molecular Mechanics | ||
| + | | MME | MiniMax-Ewald | ||
| | MNDO | Modified Neglect of Diatomic Overlap | | MNDO | Modified Neglect of Diatomic Overlap | ||
| | MO | Molecular Orbitals | | MO | Molecular Orbitals | ||
| Line 83: | Line 87: | ||
| | 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 | | ||
| Line 90: | Line 95: | ||
| | QUIP | QUantum mechanics and Interatomic Potentials library | | QUIP | QUantum mechanics and Interatomic Potentials library | ||
| | RESP | Restrained ElectroStatic Potential | | RESP | Restrained ElectroStatic Potential | ||
| + | | RESPA | REversible reference System Propagator Algorithm | ||
| | RI | Resolution of Identity | | RI | Resolution of Identity | ||
| | RM1 | Recife Model 1 | | | RM1 | Recife Model 1 | | ||
| Line 106: | Line 112: | ||
| | 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 | ||
| + | | XTB | eXtended Tight Binding | ||
| | ZMP | Zhao-Morrison-Parr potential | | ZMP | Zhao-Morrison-Parr potential | ||
acronyms.txt · Last modified: 2023/07/21 09:42 by oschuett