Physical interpretation of Koopmans' theorem: A criticism of the current didactic presentation

被引：12

作者：

Angeli, C ^{[1
]}

机构：

[1] Scuola Normale Super Pisa, I-56100 Pisa, Italy

来源：

JOURNAL OF CHEMICAL EDUCATION | 1998年 / 75卷 / 11期

关键词：

D O I：

10.1021/ed075p1494

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：1494 / 1497

页数：4

共 9 条

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[3] 2H-1P CI CALCULATIONS OF IONIZATION-POTENTIALS OF SMALL MOLECULES - CORRECTIONS TO THE KOOPMANS THEOREM [J].

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[4] NON-KOOPMANS MOLECULES [J].

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[5]

Jorgensen P., 1981, 2 QUANTIZATION BASED

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Koopmans, T .

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[7]

Merzbacher E., 1970, QUANTUM MECH

[8] CALCULATION OF IONIZATION-POTENTIALS FROM DENSITY MATRICES AND NATURAL FUNCTIONS, AND LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY [J].

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JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (02) :549-554

[9] EXTENSION OF KOOPMANS THEOREM .1. DERIVATION [J].

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JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (01) :113-114

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