LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY - REPLY

被引：47

作者：

LEVY, M ^{[1
]}

PARR, RG ^{[1
]}

机构：

[1] UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27514

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 06期

关键词：

D O I：

10.1063/1.432492

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：2707 / 2708

页数：2

共 11 条

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[2]

AHLRICHS R, 1972, CHEM PHYS LETT, V15, P609, DOI 10.1016/0009-2614(72)80386-5

[3] LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY [J].

AHLRICHS, R .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2706-2707

[4]

AHLRICHS R, 1973, CHEM PHYS LETT, V18, P512

[5]

Day O. W., 1974, REDUCED DENSITY OPER, P177

[6] EXTENSION OF KOOPMANS THEOREM .2. ACCURATE IONIZATION ENERGIES FROM CORRELATED WAVEFUNCTIONS FOR CLOSED-SHELL ATOMS [J].

DAY, OW ;

SMITH, DW ;

MORRISON, RC .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (01) :115-119

[7]

DAY OW, 1974, INT J QUANTUM CHEM S, V8, P501

[8] QUANTUM THEORY OF MANY-PARTICLE SYSTEMS .1. PHYSICAL INTERPRETATIONS BY MEANS OF DENSITY MATRICES, NATURAL SPIN-ORBITALS, AND CONVERGENCE PROBLEMS IN THE METHOD OF CONFIGURATIONAL INTERACTION [J].

LOWDIN, PO .

PHYSICAL REVIEW, 1955, 97 (06) :1474-1489

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

MORRELL, MM ;

PARR, RG ;

LEVY, M .

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

[10]

MORRELL MM, 1974, REDUCED DENSITY MATR, P188

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