- Dirac-Hartree-Fock wave function
- Макаров: волновая функция Дирака-Хартри-Фока
Универсальный англо-русский словарь. Академик.ру. 2011.
Универсальный англо-русский словарь. Академик.ру. 2011.
Hartree-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… … Wikipedia
Wave function — Not to be confused with the related concept of the Wave equation Some trajectories of a harmonic oscillator (a ball attached to a spring) in classical mechanics (A B) and quantum mechanics (C H). In quantum mechanics (C H), the ball has a wave… … Wikipedia
Computational 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… … Wikipedia
Hellmann–Feynman theorem — The Hellmann–Feynman theorem states that once the spatial distribution of the charged particles (usually the electron clouds) has been determined by solving the Schrödinger equation, all the forces in the system can be calculated using classical… … Wikipedia
Density functional theory — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Schrödinger equation — For a more general introduction to the topic, please see Introduction to quantum mechanics. Quantum mechanics … Wikipedia
Quantum 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 … Wikipedia
Eigenvalue, eigenvector and eigenspace — In mathematics, given a linear transformation, an Audio|De eigenvector.ogg|eigenvector of that linear transformation is a nonzero vector which, when that transformation is applied to it, changes in length, but not direction. For each eigenvector… … Wikipedia
Atomic 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… … Wikipedia
Many-body problem — Quantum mechanics Uncertainty principle … Wikipedia
Electronic band structure — In solid state physics, the electronic band structure (or simply band structure) of a solid describes ranges of energy that an electron is forbidden or allowed to have. It is due to the diffraction of the quantum mechanical electron waves in the… … Wikipedia