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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中图分类号：

学科分类号：

摘要：

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页码：1147 / 1166

页数：19

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