NEAR-HARTREE-FOCK ASSESSMENT OF REORGANIZATION EFFECTS IN IONIC STATES OF ACETYLENE

被引:21
作者
CHU, SY [1 ]
OZKAN, I [1 ]
GOODMAN, L [1 ]
机构
[1] RUTGERS STATE UNIV,SCH CHEM,WRIGHT & RIEMAN LABS,NEW BRUNSWICK,NJ 08903
关键词
D O I
10.1063/1.1681191
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:1268 / 1274
页数:7
相关论文
共 17 条
[1]   VIBRATION-ROTATION BANDS OF ACETYLENE AND THE MOLECULAR DIMENSIONS [J].
CHRISTENSEN, MT ;
EATON, DR ;
GREEN, BA ;
THOMPSON, HW .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1956, 238 (1212) :15-30
[2]   STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4870-&
[3]   MASS SPECTROMETRIC STUDY OF PHOTOIONIZATION OFACETYLENE + ACETYLENE-D2 [J].
DIBELER, VH ;
REESE, RM .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) :2034-&
[4]   CORRELATION EFFECTS IN NEUTRAL AND IONIZED GROUND-STATES OF ACETYLENE [J].
DUBEN, AJ ;
GOODMAN, L ;
PAMUK, HO ;
SINANOGLU, O .
THEORETICA CHIMICA ACTA, 1973, 30 (02) :177-190
[5]   The theoretical description of the (pi pi*) excited states of ethylene [J].
Dunning, T. H., Jr. ;
Huntt, W. J. ;
Goddard, W. A., III .
CHEMICAL PHYSICS LETTERS, 1969, 4 (03) :147-150
[8]   SIGMA AND PI ELECTRONIC REORGANIZATION IN ACETYLENE [J].
GRIFFITH, MG ;
GOODMAN, L .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4494-&
[9]  
Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5
[10]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&