ABINITIO ANALYTIC POLARIZABILITY, 1ST-HYPERPOLARIZABILITY AND 2ND-HYPERPOLARIZABILITY OF LARGE CONJUGATED ORGANIC-MOLECULES - APPLICATIONS TO POLYENES C4H6 TO C22H24

被引:519
作者
HURST, GJB [1 ]
DUPUIS, M [1 ]
CLEMENTI, E [1 ]
机构
[1] IBM CORP,DIV DATA SYST,DEPT 48B,KINGSTON,NY 12401
关键词
D O I
10.1063/1.455480
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
收藏
页码:385 / 395
页数:11
相关论文
共 58 条
[1]   CORRECTION [J].
ADAMOWICZ, L .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :7250-7250
[2]   NUMERICAL COUPLED HARTREE-FOCK STUDY OF THE TOTAL (ELECTRONIC AND NUCLEAR) PARALLEL POLARIZABILITY AND HYPERPOLARIZABILITY FOR THE FH, H2+, HD+, AND D2+ MOLECULES [J].
ADAMOWICZ, L ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4988-4991
[3]   DELOCALIZATION AND SUPERALTERNATION EFFECTS IN NONLINEAR SUSCEPTIBILITIES OF ONE-DIMENSIONAL SYSTEMS [J].
AGRAWAL, GP ;
FLYTZANIS, C .
CHEMICAL PHYSICS LETTERS, 1976, 44 (02) :366-370
[4]  
ANDRE JM, 1987, NONLINEAR OPTICAL PR, V2
[5]   NONLINEAR SUSCEPTIBILITIES OF FINITE CONJUGATED ORGANIC POLYMERS [J].
BERATAN, DN ;
ONUCHIC, JN ;
PERRY, JW .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (11) :2696-2698
[6]  
Buckingham A., 1967, ADV CHEM PHYS, V12, P107, DOI DOI 10.1002/9780470143582.CH2
[7]  
Chemla D.S., 1987, NONLINEAR OPTICAL PR, V1
[8]  
CHEMLA DS, 1987, NONLINEAR OPTICAL PR, V1
[9]  
CHEMLA DS, 1987, NONLINEAR OPTICAL PR, V2
[10]   ABINITIO COMPUTATIONAL CHEMISTRY [J].
CLEMENTI, E .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (21) :4426-4436