acronyms
Differences
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| acronyms [2016/08/30 20:16] – hbani | acronyms [2019/07/01 10:49] – vrybkin | ||
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| | BOMD | Born-Oppenheimer Molecular Dynamics | | BOMD | Born-Oppenheimer Molecular Dynamics | ||
| | BSSE | Basis Set Superposition Error | | | BSSE | Basis Set Superposition Error | | ||
| + | | CDFT | Constrained Density Functional Theory | ||
| + | | CDFT-CI | ||
| | CG | Conjugated Gradients algorithm | | CG | Conjugated Gradients algorithm | ||
| | CHARMM | | CHARMM | ||
| Line 22: | 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 62: | Line 65: | ||
| | MSST | Multi-Scale Shock Technique | | MSST | Multi-Scale Shock Technique | ||
| | NDDO | Neglect of Diatomic Differential Overlap | | NDDO | Neglect of Diatomic Differential Overlap | ||
| - | | NEB | Nudged Elastic Band | | + | | NEB | Nudged Elastic Band | |
| - | | NEGF | Non-Equilibrium Green' | + | | NEGF | Non-Equilibrium Green' |
| | NMR | Nuclear Magnetic Resonance | | NMR | Nuclear Magnetic Resonance | ||
| | NpE | Constant Number, Pressure, and Energy | | NpE | Constant Number, Pressure, and Energy | ||
| Line 82: | 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 | | ||
| Line 89: | Line 93: | ||
| | 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 | | ||
acronyms.txt · Last modified: 2023/07/21 09:42 by oschuett