In quantum chemistry, n-electron valence state perturbation theory (NEVPT) is a perturbative treatment applicable to multireference CASCI-type wavefunctions...

geometries. Valence bond theory complements molecular orbital theory (MO), which does not adhere to the valence bond idea that electron pairs are localized...

the paramagnetic nature of O2, which valence bond theory cannot explain. In molecular orbital theory, electrons in a molecule are not assigned to individual...

n-category n-category number n-connected space n-curve n-dimensional space n-dimensional sequential move puzzle n-electron valence state perturbation...

however, the bands are neither electron-like nor hole-like, and often just called "valence band" as they are made of valence orbitals. The band gaps in a...

the Hartree–Fock method by adding electron correlation effects by means of Rayleigh–Schrödinger perturbation theory (RS-PT), usually to second (MP2),...

In solid-state physics, the k·p perturbation theory is an approximated semi-empirical approach for calculating the band structure (particularly effective...

single and double configuration interaction (MRCISD) N-electron valence state perturbation theory (NEVPT). Cramer, Christopher J. (2002). Essentials of...

ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system...

effect, electron configurations, along with some simplified forms of molecular orbital theory, have become the modern equivalent of the valence concept...

both valence electron count and valence orbital type. As chemical reactions involve the valence electrons, elements with similar outer electron configurations...

orbital theory — Valence bond theory — Transition state theory — RRKM theory — Chemical graph theory — Flory–Huggins solution theory — Marcus theory — Lewis...

interaction (MRCI) n-electron valence state perturbation theory (NEVPT) Complete active space perturbation theory (CASPTn) State universal multi-reference...

peripheral hydrogen atoms with oxygen having two lone pairs of electrons. Valence bond theory suggests that H 2O is sp3 hybridized in which the 2s atomic...

 Čížek used the correlation function of MET and used Goldstone-type perturbation theory to get the energy expression, while original MET was completely variational...

Görling–Levy perturbation theory (GLPT) in Kohn–Sham (KS) density functional theory (DFT) is the analogue to what Møller–Plesset perturbation theory (MPPT)...

Modern valence bond theory is the application of valence bond theory (VBT) with computer programs that are competitive in accuracy and economy, with programs...

configuration is often abbreviated by writing only the valence electrons explicitly, while the core electrons are replaced by the symbol for the last previous...

There are two families of hadrons: baryons, with three valence quarks, and mesons, with a valence quark and an antiquark. The most common baryons are the...

devised to include electron correlation to the multi-electron wave function. One of these approaches, Møller–Plesset perturbation theory, treats correlation...

free electron in the vicinity of a hydrogen atom are available in Bethe and Salpeter. Normalized Derivation in time-dependent perturbation theory The following...

theory (OFDFT) is the Dirac exchange as a Local Density Approximation (LDA) (1930) It is related to the homogeneous electron gas (HEG). E x LDA [ n ]...

electron-hole pairs) and the Sternheimer equation (density-functional perturbation theory). Hohenberg, P.; Kohn, W. (1964). "Inhomogeneous Electron Gas"...

of the free-electron gas model which includes a weak periodic perturbation meant to model the interaction between the conduction electrons and the ions...

Linnett double-quartet theory (LDQ) is a method of describing the bonding in molecules which involves separating the electrons depending on their spin...

the spin–orbit interaction for an electron bound to a hydrogen-like atom, up to first order in perturbation theory, using some semiclassical electrodynamics...

quarks. The success of chiral perturbation theory and the even more naive chiral models spring from this fact. The valence quark masses extracted from the...

systems, this was the Hückel method proposed by Erich Hückel. For all valence electron systems, the extended Hückel method was proposed by Roald Hoffmann...

use the electron affinity and band gap values for each semiconductor to calculate the conduction band and valence band offsets. The electron affinity...

In solid-state physics, the electron mobility characterizes how quickly an electron can move through a metal or semiconductor when pushed or pulled by...