BOND LENGTH ALTERNATION IN CYCLIC POLYENES .4. FINITE-ORDER PURTURBATION THEORY APPROACH

被引：37

作者：

PALDUS, J

TAKAHASHI, M

机构：

[1] UNIV WATERLOO,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA

[2] UNIV WATERLOO,GUELPH WATERLOO CTR GRAD WORK CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1984年 / 25卷 / 02期

关键词：

D O I：

10.1002/qua.560250212

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：423 / 443

页数：21

共 62 条

[31]

NECHTSHEIN M, 1980, PHYS REV LETT, V44, P556

[32] CONFIGURATION INTERACTION IN ORBITAL THEORIES [J].

NESBET, RK .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182) :312-321

[33]

Ovchinnikov A. A., 1973, Soviet Physics - Uspekhi, V15, P575, DOI 10.1070/PU1973v015n05ABEH005011

[34] NORMAL VIBRATIONAL ANALYSIS OF BENZENE [J].

PAINTER, PC ;

KOENIG, JL .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1977, 33 (11) :1019-1024

[35] FULL CONFIGURATION INTERACTION FOR PI-ELECTRONIC MODEL OF BENZENE .2. CORRELATION ENERGY AND LOW LYING SINGLET EXCITATION ENERGIES [J].

PALDUS, J ;

CIZEK, J ;

SROUBKOV.L .

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1971, 36 (02) :618-&

[36] Stability Conditions for the Solutions of the Hartree-Fock Equations for Atomic and Molecular Systems. VI. Singlet-Type Instabilities and Charge-Density-Wave Hartree-Fock Solutions for Cyclic Polyenes [J].

Paldus, J. ;

Cizek, J. .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (06) :2268-2283

[37] GROUP THEORETICAL APPROACH TO CONFIGURATION INTERACTION AND PERTURBATION-THEORY CALCULATIONS FOR ATOMIC AND MOLECULAR SYSTEMS [J].

PALDUS, J .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5321-5330

[38] COMPUTER GENERATION OF FEYNMAN DIAGRAMS FOR PERTURBATION-THEORY .1. GENERAL ALGORITHM [J].

PALDUS, J ;

WONG, HC .

COMPUTER PHYSICS COMMUNICATIONS, 1973, 6 (01) :1-7

[39] CLUSTER-ANALYSIS OF THE FULL CONFIGURATION-INTERACTION WAVE-FUNCTIONS OF CYCLIC POLYENE MODELS [J].

PALDUS, J ;

BOYLE, MJ .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (06) :1281-1305

[40]

PALDUS J, 1983, INT J QUANTUM CHEM, V24, P395, DOI 10.1002/qua.560240406

← 1 2 3 4 5 6 7 →