Theory of the Unrestricted Hartree-Fock Equation and Its Solutions II Classification and Characterization of UHF Solutions by Their Behavior for Spin Rotation and Time Reversal

Theory of the Unrestricted Hartree-Fock Equation and Its Solutions II Classification and Characterization of UHF Solutions by Their Behavior for Spin Rotation and Time Reversal
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无限制 Hartree-Fock 方程及其解的理论 II 根据自旋旋转和时间反转行为对 UHF 解进行分类和表征

DOI:
10.1143/ptp.52.115
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发表时间:
1971
影响因子:
--
通讯作者:
H. Fukutome
H. Fukutome
中科院分区:
--
文献类型:
--
作者:
H. Fukutome

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讨论了UHF方程解的分类和特征。基于对它们自旋旋转和时间反转行为的群论考虑。结果表明,UHF解可以分为8类,具有不同的行为的自旋旋转和:d时间反转。导出了表征这八类的密度矩阵的性质。从属性,标准形式。的轨道的八个类的推导。
Classification and characterization of the solutions of UHF equation are discussed on the. basis of a group theoretical consideration on their behavior for spin rotation and time reversal. It is shown that UHF solutions can be classified into eight classes with distinct behavior for spin rotation an:d time reversal. The properties of density matrix to characterize the eight classes are derived. From the properties, standard forms. of orbital for the eight classes are derived.