- convergence of Hartree-Fock energy
- Макаров: сходимость хартри-фоковской энергии
Универсальный англо-русский словарь. Академик.ру. 2011.
convergence of Hartree-Fock energy
Смотреть что такое "convergence of Hartree-Fock energy" в других словарях:
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
Møller–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 … Wikipedia
Møller-Plesset perturbation theory — (MP) is one of several quantum chemistry post Hartree Fock ab initio methods in the field of computational chemistry. It improves on the Hartree Fock method by adding electron correlation effects by means of Rayleigh Schrödinger perturbation… … Wikipedia
Ab initio quantum chemistry methods — are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The… … Wikipedia
Nuclear 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 … 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
Coupled cluster — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory … Wikipedia
Eigenvalues and eigenvectors — For more specific information regarding the eigenvalues and eigenvectors of matrices, see Eigendecomposition of a matrix. In this shear mapping the red arrow changes direction but the blue arrow does not. Therefore the blue arrow is an… … Wikipedia
Molecular orbital theory — In chemistry, molecular orbital (MO) theory is a method for determining molecular structure in which electrons are not assigned to individual bonds between atoms, but are treated as moving under the influence of the nuclei in the whole… … Wikipedia
