method of spin-density functional
11Computational chemistry — is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of… …
12Renormalization group — In theoretical physics, the renormalization group (RG) refers to a mathematical apparatus that allows systematic investigation of the changes of a physical system as viewed at different distance scales. In particle physics, it reflects the… …
13Список награждённых Национальной медалью науки США — Джошуа Ледерберг (справа) получает Национальную медаль науки из рук Президента США Джорджа Буша старшего Список …
14Crystal (software) — For other uses, see Crystal (disambiguation). CRYSTAL is a quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers (1 dimension) using translational symmetry, but it… …
15Electronegativity — This electrostatic potential map shows how the oxygen atom has a more negative charge than the hydrogen atoms. Electronegativity, symbol χ (the Greek letter chi), is a chemical property that describes the tendency of an atom or a functional group …
16Maxwell's equations — For thermodynamic relations, see Maxwell relations. Electromagnetism …
17Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one …
18Møller–Plesset perturbation theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation th …
19Dynamical mean field theory — (DMFT) is a method to determine the electronic structure of strongly correlated materials. In such materials, the approximation of independent electrons, which is used in Density Functional Theory and usual band structure calculations, breaks… …
20Hartree-Fock — In computational physics and computational chemistry, the Hartree Fock (HF) method is an approximate method for the determination of the ground state wavefunction and ground state energy of a quantum many body system.The Hartree Fock method… …
