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Configuration interaction ( CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically, configuration simply describes the linear combination of Slater determinants used for the wave function.
A configuration graph is a directed labeled graph where the label of the vertices are the possible configurations of the models and where there is an edge from one configuration to another if it correspond to a computational step of the model. [citation needed] The initial and accepting configuration (s) of the machine are special vertices of ...
v. t. e. In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under ...
Configurational analysis. In cultural and social studies, configurations are patterns of behaviour, movement (→ movement culture) and thinking, which research observes when analysing different cultures and/ or historical changes. The term “configurations” is mostly used by comparative anthropological studies and by cultural history.
Electron configuration. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1] For example, the electron configuration of the neon atom is 1s2 2s2 2p6, meaning that the 1s, 2s, and 2p subshells are occupied by ...
Configuration (geometry) Configurations (4 6) (a complete quadrangle, at left) and (6 4) (a complete quadrilateral, at right). In mathematics, specifically projective geometry, a configuration in the plane consists of a finite set of points, and a finite arrangement of lines, such that each point is incident to the same number of lines and each ...
Configuration entropy. In statistical mechanics, configuration entropy is the portion of a system's entropy that is related to discrete representative positions of its constituent particles. For example, it may refer to the number of ways that atoms or molecules pack together in a mixture, alloy or glass, the number of conformations of a ...
The expression "shell model" is ambiguous in that it refers to two different items. It was previously used to describe the existence of nucleon shells according to an approach closer to what is now called mean field theory. Nowadays, it refers to a formalism analogous to the configuration interaction formalism used in quantum chemistry.