Many-configuration approach and density-matrix

Mathematics. Physics. Mechanics


Аuthors

Kiselyov A. G., Skorokhod E. P.*

*e-mail: e.p.skorohod@mail.ru

Abstract

The solution of many-electron problem to atoms and molecules physics are realized by density-matrix method. Effective Hamiltonian is introduced. Spectrum of this operator for any pair electrons may be expressed as a set of the own energy value and a set of own wavefunction. Many-configuration approach, which describes the wavefunction of all electrons system by many-determinant sum, details density-matrix and permits to definite their properties. New formulating of electrons problem makes to reduce calculations difficulties.

Keywords:

density-matrix method, redused -density-matrix, many-configuration approach, electrons problem, spectrum decomposition density-matrix.


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