The GW approximation (GWA) is an approximation made in order to calculate the self-energy of a many-body system of electrons. The approximation is that...
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complex quantity and usually approximations are needed to solve the problem. One such approximation is the GW approximation, so called from the mathematical...
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Washington University Hospital GW approximation, an estimate of a many-body electron system's self-energy Gigawatt (GW), a unit for measuring power—equal...
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Density functional theory (redirect from Generalized gradient approximation)
enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better model the exchange...
80 KB (10,626 words) - 17:26, 23 June 2025
The muffin-tin approximation is a shape approximation of the potential well in a crystal lattice. It is most commonly employed in quantum mechanical simulations...
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Ivory Coast and Ghana GWA study or GWAS, Genome-wide association study GW approximation, in quantum field theory Gwa, Myanmar, a town Gwa Township, Myanmar...
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emeritus professor of Lund University. He is known for the development of GW approximation based on the Hedin equations, named after him. Lars Tore Hedin was...
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Tight binding (redirect from Tight binding approximation)
about strongly correlated material the tight binding approach is basic approximation because highly localized electrons like 3-d transition metal electrons...
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Hartree–Fock method (redirect from Hartree-Fock approximation)
physics and chemistry, the Hartree–Fock (HF) method is a method of approximation for the determination of the wave function and the energy of a quantum...
31 KB (4,739 words) - 23:21, 4 July 2025
electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation GW approximation Korringa–Kohn–Rostoker method v t...
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functions. The PAW method is typically combined with the frozen core approximation, in which the core states are assumed to be unaffected by the ion's...
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equation and its set of solutions: For molecules, the Born–Oppenheimer approximation is inherently assumed. The true wavefunction should also be a function...
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within the generalized gradient approximation (GGA) and quasiparticle theory calculations within the GW approximation. They found that the strain-modified...
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The empty lattice approximation is a theoretical electronic band structure model in which the potential is periodic and weak (close to constant). One...
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orbitals – as linear combinations of atomic orbitals (LCAO). These approximations are made by applying the density functional theory (DFT) or Hartree–Fock...
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these approaches is to provide a reliable solution (or an accurate approximation) of the quantum many-body problem. The diverse flavors of quantum Monte...
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Nearly free electron model (redirect from Nearly-free electron approximation)
The model is closely related to the more conceptual empty lattice approximation. The model enables understanding and calculation of the electronic band...
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needed] Quantum field theory QED vacuum Renormalization Self-force GW approximation Wheeler–Feynman absorber theory A. L. Fetter, and J. D. Walecka, Quantum...
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electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation GW approximation Korringa–Kohn–Rostoker method v t...
8 KB (1,120 words) - 01:27, 1 October 2024
chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important...
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quantum-transport calculations NEB (Nudged Elastic Band) (interfacing with LUA) GW approximation Time Dependent DFT (TDDFT) Hybrid Functionals Band unfolding Poisson...
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Korringa–Kohn–Rostoker method (redirect from KKR approximation)
derivation based on the Kohn and Rostoker variational method, the muffin-tin approximation was used. Later calculations are done with full potentials having no...
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density functional theory many-body perturbation theory, using the GW approximation and Bethe–Salpeter equation. Free and open-source software portal List...
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all previous times. Consequently, the development of time-dependent approximations for the implementation of TDDFT is behind that of DFT, with applications...
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pertubation theory Møller, Christian; Plesset, Milton S. (1934). "Note on an Approximation Treatment for Many-Electron Systems" (PDF). Phys. Rev. 46 (7): 618–622...
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within the Born–Oppenheimer approximation (although schemes have also been drawn up to work without the BO approximation). One possible improvement to...
28 KB (4,353 words) - 02:08, 11 December 2024
the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically, configuration...
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correct only in the limit of an infinite nuclear charge. Using the approximation for realistic systems yields poor quantitative predictions, even failing...
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approximately. Such approximations are called as conserving approximation. Some examples: The (fully self-consistent) GW approximation is equivalent to truncating...
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perturbation theory, such as Møller-Plesset perturbation theory or the GW approximation. Moreover, thermodynamic properties of the molecules and solids are...
8 KB (962 words) - 11:13, 18 February 2025