ABINITIO CALCULATIONS OF POLARIZABILITIES AND 2ND HYPERPOLARIZABILITIES OF ORGANIC-MOLECULES WITH EXTENDED PI-ELECTRON CONJUGATION

被引:190
作者
CHOPRA, P [1 ]
CARLACCI, L [1 ]
KING, HF [1 ]
PRASAD, PN [1 ]
机构
[1] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14260
关键词
D O I
10.1021/j100357a020
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:7120 / 7130
页数:11
相关论文
共 81 条
[1]   SINGLE DETERMINANT WAVE FUNCTIONS [J].
AMOS, AT ;
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+
[2]  
ANDRE JM, 1987, NONLINEAR OPTICAL PR, V2, P137
[3]   FULL CI BENCHMARK CALCULATIONS FOR MOLECULAR-PROPERTIES [J].
BAUSCHLICHER, CW ;
TAYLOR, PR .
THEORETICA CHIMICA ACTA, 1987, 71 (04) :263-276
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[5]   STATIC HIGHER POLARIZABILITIES OF H-2 [J].
BISHOP, DM ;
CHEUNG, LM .
PHYSICAL REVIEW A, 1979, 20 (04) :1310-1312
[6]   FINITE HYDROCARBON CHAINS INCORPORATING CUMULENIC STRUCTURES - PREDICTION BY ABINITIO CALCULATIONS OF THEIR EQUILIBRIUM GEOMETRY AND ELECTRIC POLARIZABILITY [J].
BODART, VP ;
DELHALLE, J ;
DORY, M ;
FRIPIAT, JG ;
ANDRE, JM .
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS, 1987, 4 (06) :1047-1054
[7]  
Bogaard M. P., 1975, INT REV SCI PHYS C 2, V2, P149
[8]   POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].
BRIDGE, NJ ;
BUCKINGHAM, AD .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+
[9]   LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J].
BROOKS, BR ;
LAIDIG, WD ;
SAXE, P ;
HANDY, NC ;
SCHAEFER, HF .
PHYSICA SCRIPTA, 1980, 21 (3-4) :312-322
[10]  
Buckingham A. D., 1967, ADV CHEM PHYS, V12, P107, DOI DOI 10.1002/9780470143582.CH2