Premium
Electron Density Redistribution and Configuration Distortion in an (AB) N Chain
Author(s) -
Lubimov V. S.,
Ionov S. P.,
Makarov E. F.
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220660113
Subject(s) - delocalized electron , electron , redistribution (election) , atomic physics , coulomb , physics , configuration interaction , electron density , instability , molecular physics , chemistry , quantum mechanics , politics , political science , law , excited state
The electron density redistribution and the configuration instability in (AB) N ‐chains are considered. It is found that the symmetrical distorted configuration is more stable for chains with Coulomb interaction between the electrons on centres A and B. This configuration is more stable also in the case of delocalized noninteracting electrons, if an odd electron number is on the unit fragment AB. The antisymmetrical distorted configuration energy is the smallest, if there is an even electron number on the AB fragment. Some examples of (AB) N ‐chains are considered.