CUSP CONDITION - CONSTRAINT ON ELECTRON-DENSITY MATRIX

被引：17

作者：

CLINTON, WL

MASSA, LJ

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1972年 / 6卷 / 03期

关键词：

D O I：

10.1002/qua.560060313

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：519 / &

共 9 条

[1] DIRECT DETERMINATION OF PURE-STATE DENSITY MATRICES .3. PURELY THEORETICAL DENSITIES VIA AN ELECTROSTATIC-VIRIAL THEOREM [J].

CLINTON, WL ;

HENDERSON, GA ;

PRESTIA, JV .

PHYSICAL REVIEW, 1969, 177 (01) :13-+

[2] DIRECT DETERMINATION OF PURE-STATE DENSITY MATRICES .V. CONSTRAINED EIGENVALUE PROBLEMS [J].

CLINTON, WL ;

GALLI, AJ ;

HENDERSON, GA ;

LAMERS, GB ;

MASSA, LJ ;

ZARUR, J .

PHYSICAL REVIEW, 1969, 177 (01) :27-+

[3] DIRECT DETERMINATION OF PURE-STATE DENSITY MATRICES .2. CONSTRUCTION OF CONSTRAINED IDEMPOTENT ONE-BODY DENSITIES [J].

CLINTON, WL ;

GALLI, AJ ;

MASSA, LJ .

PHYSICAL REVIEW, 1969, 177 (01) :7-&

[4]

CLINTON WL, 1969, PHYS REV, V177, P21

[5]

CLINTON WL, 1968, PHYS REV, V177, P1

[6] PRESENT STATE OF MOLECULAR STRUCTURE CALCULATIONS [J].

COULSON, CA .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :170-177

[7] LOCAL-ENERGY METHOD IN ELECTRONIC ENERGY CALCULATIONS [J].

FROST, AA ;

KELLOGG, RE ;

CURTIS, EC .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :313-317

[8] CLASSICAL AND QUANTUM MECHANICAL HYPERVIRIAL THEOREMS [J].

HIRSCHFELDER, JO .

JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (05) :1462-1466

[9] CORRELATED ORBITALS FOR THE GROUND STATE OF THE HYDROGEN MOLECULE [J].

KOLOS, W ;

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :205-210

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