PCILO METHOD FOR EXCITED-STATES .1. CONSTRUCTION OF ZEROTH ORDER WAVE-FUNCTION FOR PLANAR CONJUGATED SYSTEMS

被引：10

作者：

LANGLET, J

机构：

来源：

THEORETICA CHIMICA ACTA | 1972年 / 27卷 / 03期

关键词：

D O I：

10.1007/BF01046367

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：223 / &

共 35 条

[1] ANALOG OF N-] TRANSITIONS IN MONO-OLEFINS [J].

BERRY, RS .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (08) :1934-&

[2] COMMENT ON ULTRAVIOLET MYSTERY BAND OF OLEFINS [J].

BERTHOD, H .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1859-&

[3] ELECTRONIC EXCITED STATES OF BENZENE AND ETHYLENE [J].

CLARK, PA ;

RAGLE, JL .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (11) :4235-&

[4] CNDO-SCF-CI CALCULATIONS OF EXCITED ELECTRONIC STATES OF 1,3-BUTADIENE [J].

CLARK, PA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01) :45-&

[5]

CLARK PA, 1969, J CHEM PHYS, V48, P4795

[6] CORRELATION EFFECTS ON PI PI! TRANSITION ENERGIES IN SERIES OF LINEAR POLYENES .3. DYNAMICAL CORRELATION EFFECTS [J].

DENIS, A ;

MALRIEU, JP .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6076-&

[7] INFLUENCE OF SIGMA SYSTEMS ON PIPI' TRANSITION ENERGIES - A SIMPLE APPLICATION TO SERIES OF LINEAR POLYENES [J].

DENIS, A ;

MALRIEU, JP .

THEORETICA CHIMICA ACTA, 1968, 12 (01) :66-&

[8] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J].

DINER, S ;

MALRIEU, JP ;

CLAVERIE, P .

THEORETICA CHIMICA ACTA, 1969, 13 (01) :1-&

[9] LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .3. ENERGY UP TO THIRD-ORDER IN ZERO-DIFFERENTIAL OVERLAP APPROXIMATION . APPLICATION TO SIGMA-ELECTRON SYSTEMS [J].

DINER, S ;

MALRIEU, JP ;

JORDAN, F ;

GILBERT, M .

THEORETICA CHIMICA ACTA, 1969, 15 (02) :100-&

[10] NONEMPIRICAL CALCULATIONS ON EXCITED STATES - ETHYLENE MOLECULE [J].

DUNNING, TH ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1735-&

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