method of spin-density functional
21List of numerical analysis topics — This is a list of numerical analysis topics, by Wikipedia page. Contents 1 General 2 Error 3 Elementary and special functions 4 Numerical linear algebra …
22Nuclear structure — Physics portal This page is an adapted translation of the corresponding fr:Structure nucléaire As will be noted, there remain void paragraphs, as on the original (which provides no sources). Competent Wikipedians are welcom …
23Atomic orbital — The shapes of the first five atomic orbitals: 1s, 2s, 2px, 2py, and 2pz. The colors show the wave function phase. These are graphs of ψ(x,y,z) functions which depend on the coordinates of one electron. To see the elongated shape of ψ(x,y,z)2… …
24Configuration interaction — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …
25Kinetic energy — The kinetic energy of an object is the extra energy which it possesses due to its motion. It is defined as the work needed to accelerate a body of a given mass from rest to its current velocity . Having gained this energy during its acceleration …
26Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …
27Electron configuration — Electron atomic and molecular orbitals Simp …
28Metal L-edge — Figure 1: L3 and L2 edges of [CuCl4]2 …
29Perturbation theory (quantum mechanics) — In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which a …
30Atomistix ToolKit — (ATK) is a commercial software, developed by Atomistix A/S, for atomic scale modeling and simulation of nanosystems. Atomistix ToolKit is a further development of TranSIESTA C, which in turn in based on the technology, models, and algorithms… …
