Many-configuration approach and density-matrix

Mathematics. Physics. Mechanics


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



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.


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

Download — informational site MAI

Copyright © 2000-2021 by MAI