Title of article
A practicable parameter describing magnetic interactions
Author/Authors
Liu، نويسنده , , Chengbu and Hu، نويسنده , , Haiquan and Yang، نويسنده , , Xiaohua، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
6
From page
89
To page
94
Abstract
A practicable parameter describing magnetic coupling interactions has been suggested. That is the square of overlap integral between the magnetic orbitals in the broken symmetry state. Three molecules, HHeH,[HFH]− and OTi2Cl4, have been calculated with the density functional theory and the broken symmetry approach to inspect this parameter.
Journal title
Chemical Physics Letters
Serial Year
2001
Journal title
Chemical Physics Letters
Record number
1778507
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