METHOD OF LOCAL-SCALING TRANSFORMATIONS AND DENSITY-FUNCTIONAL THEORY IN QUANTUM-CHEMISTRY

被引：62

作者：

PETKOV, IZ ^{[1
]}

STOITSOV, MV ^{[1
]}

KRYACHKO, ES ^{[1
]}

机构：

[1] ACAD SCI UKSSR, INST THEORET PHYS, KIEV 252130, UKRAINE, USSR

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 01期

关键词：

D O I：

10.1002/qua.560290113

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：149 / 161

页数：13

共 42 条

[1] QUANTUM-THEORY OF ATOMS IN MOLECULES - DALTON REVISITED [J].

BADER, RFW ;

NGUYENDANG, TT .

ADVANCES IN QUANTUM CHEMISTRY, 1981, 14 :63-124

[2] SOME HYPERVIRIAL CALCULATIONS [J].

COULSON, CA ;

NASH, JC .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1974, 7 (06) :657-664

[3]

Epstein S. T., 1974, VARIATIONAL METHOD Q

[4] INTEGRATED AND INTEGRAL HELLMANN-FEYNMAN FORMULAS [J].

EPSTEIN, ST ;

HURLEY, AC ;

WYATT, RE ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) :1275-&

[5] HYPERVIRIAL THEOREMS FOR VARIATIONAL WAVE FUNCTIONS [J].

EPSTEIN, ST ;

HIRSCHFELDER, JO .

PHYSICAL REVIEW, 1961, 123 (04) :1495-&

[6] Comment on the Virial Theorem [J].

Fock, V. .

ZEITSCHRIFT FUR PHYSIK, 1930, 63 (11-12) :855-858

[7] DIRECT 1ST PRINCIPLES ALGORITHM FOR THE UNIVERSAL ELECTRON-DENSITY FUNCTIONAL [J].

FREED, KF ;

LEVY, M .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01) :396-398

[8] SCALING IN PSEUDOPOTENTIAL THEORY [J].

GASPAR, R .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (03) :1017-1024

[9] HOHENBERG-KOHN THEOREM FOR NONLOCAL EXTERNAL POTENTIALS [J].

GILBERT, TL .

PHYSICAL REVIEW B, 1975, 12 (06) :2111-2120

[10]

GOPINATHAN MS, 1976, INT J QUANTUM CHEM, V10, P975, DOI 10.1002/qua.560100608

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