PROJECTION OF SINGLE-DETERMINANT SOLUTIONS OF SPIN-POLARIZED SELF-CONSISTENT FIELD EQUATIONS IN THE BASIS SET OF SPIN-PAIRED ORBITALS

被引：0
|
作者：
D. A. Ovchinnikov
S. F. Ruzankin
V. Yu. Kovalskii
I. L. Zilberberg
机构：
[1] Boreskov Institute of Catalysis,
[2] Siberian Branch,undefined
[3] Russian Academy of Sciences,undefined
[4] Novosibirsk State University,undefined
[5] Institute of Solid State Chemistry and Mechanochemistry,undefined
[6] Siberian Branch,undefined
[7] Russian Academy of Sciences,undefined
来源：
Journal of Structural Chemistry | 2021年 / 62卷
关键词：
spin density; spin-paired orbitals; spin projection.;
D O I：
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学科分类号：
摘要：
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页码：1147 / 1166
页数：19
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