STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .4. STUDY OF DOUBLET STABILITY FOR ODD LINEAR POLYENIC RADICALS

被引：108

作者：

PALDUS, J

CIZEK, J

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1971年 / 54卷 / 06期

关键词：

D O I：

10.1063/1.1675179

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：2293 / &

共 12 条

[1] OPEN- AND CLOSED-SHELL SCF METHOD FOR CONJUGATED SYSTEMS [J].

ADAMS, OW ;

LYKOS, PG .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) :1444-&

[2]

CIZEK J, 1970, J CHEM PHYS, V53, P821, DOI 10.1063/1.1674065

[3]

CIZEK J, 1967, J CHEM PHYS, V47, P3976

[4] SADDLE-POINT CHARACTER OF HARTREE-FOCK ENERGIES [J].

HIBBERT, A ;

COULSON, CA .

JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1969, 2 (04) :458-&

[5] APPLICABILITY OF ROOTHAANS SELF-CONSISTENT FIELD THEORY [J].

HUZINAGA, S .

PHYSICAL REVIEW, 1960, 120 (03) :866-871

[6]

Mataga N., 1957, Z PHYS CHEM, V13, P140, DOI [10.1524/zpch.1957.13.3_4.140, DOI 10.1524/ZPCH.1957.13.3_4.140]

[7] A COMMENT ON PAPER BY FUKUTOME,H - SPIN DENSITY WAVE AND CHARGE TRANSFER WAVE IN LONG CONJUGATED MOLECULES [J].

PALDUS, J ;

CIZEK, J .

PROGRESS OF THEORETICAL PHYSICS, 1969, 42 (04) :769-&

[8] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE [J].

PALDUS, J ;

CIZEK, J .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) :2919-&

[9] Stability conditions for the solutions of the Hartree-Fock equations for the simple open-shell case [J].

Paldus, J. ;

Cizek, J. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (01) :1-3

[10]

PALDUS J, 1970, J POLYM SCI, V29, P199

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