DIPOLE-MOMENT, POLARIZABILITY, AND THEIR DERIVATIVES FOR THE SIC MOLECULE

被引:7
作者
CASTRO, MA [1 ]
CANUTO, S [1 ]
机构
[1] USP, INST FIS, BR-01498-970 SAO PAULO, BRAZIL
来源
PHYSICAL REVIEW A | 1993年 / 48卷 / 01期
关键词
D O I
10.1103/PhysRevA.48.826
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The dipole moment and the polarizability of the SiC molecule are calculated by using the coupled cluster with double-substitution approximation with partial inclusion of single and triple substitutions. Their respective derivatives with respect to the internuclear separation are also reported within the many-body-perturbation-theory scheme to fourth order limited to double and quadruple substitutions.
引用
收藏
页码:826 / 828
页数:3
相关论文
共 34 条
[11]   ASTRONOMICAL AND LABORATORY DETECTION OF THE SIC RADICAL [J].
CERNICHARO, J ;
GOTTLIEB, CA ;
GUELIN, M ;
THADDEUS, P ;
VRTILEK, JM .
ASTROPHYSICAL JOURNAL, 1989, 341 (01) :L25-L28
[12]   4TH-ORDER MANY-BODY PERTURBATION-THEORY STUDY OF THE ELECTRON-CORRELATION CONTRIBUTION TO POLARIZABILITIES OF NE [J].
CERNUSAK, I ;
DIERCKSEN, GHF ;
SADLEJ, AJ .
PHYSICAL REVIEW A, 1986, 33 (02) :814-823
[13]   ATOMIC POLARIZABILITIES AND SHIELDING FACTORS [J].
DALGARNO, A .
ADVANCES IN PHYSICS, 1962, 11 (44) :281-315
[14]  
DUNNING TH, 1976, MODERN THEORETICAL C, pCH1
[15]  
FRISCH MJ, 1984, GAUSSIAN 86 COMPUTER
[16]  
iek J., 1969, ADV CHEM PHYS, P35, DOI [10.1002/9780470143599.ch2, DOI 10.1002/9780470143599.CH2]
[17]   A STUDY OF THE PERFORMANCE OF HIGH-LEVEL CORRELATED METHODS - THE ENERGY, DIPOLE-MOMENT, AND POLARIZABILITY FUNCTIONS OF CO [J].
KELLO, V ;
NOGA, J ;
DIERCKSEN, GHF ;
SADLEJ, AJ .
CHEMICAL PHYSICS LETTERS, 1988, 152 (4-5) :387-392
[19]   POLARIZABILITIES AND HYPERPOLARIZABILITIES OF F2 [J].
MAROULIS, G ;
THAKKAR, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :366-370
[20]   DUST AND MOLECULES IN THE SHELLS OF CARBON STARS - THE INVERSE GREENHOUSE-EFFECT [J].
MCCABE, EM .
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 1982, 200 (01) :71-82