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
[1]   FINITE-FIELD MANY-BODY-PERTURBATION-THEORY CALCULATION OF THE STATIC HYPERPOLARIZABILITIES AND POLARIZABILITIES OF MG, AL+, AND CA [J].
ARCHIBONG, EF ;
THAKKAR, AJ .
PHYSICAL REVIEW A, 1991, 44 (09) :5478-5484
[2]   THE EVALUATION OF MOLECULAR ELECTRON-AFFINITIES [J].
BAKER, J ;
NOBES, RH ;
RADOM, L .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) :349-358
[3]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[5]   ABINITIO CALCULATIONS ON C2, SI2, AND SIC [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2919-2924
[6]   THEORETICAL PREDICTIONS AND EXPERIMENTAL DETECTION OF THE SIC MOLECULE [J].
BERNATH, PF ;
ROGERS, SA ;
OBRIEN, LC ;
BRAZIER, CR ;
MCLEAN, AD .
PHYSICAL REVIEW LETTERS, 1988, 60 (03) :197-199
[7]   THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5437-5445
[8]  
Buckingham A. D., 1967, ADV CHEM PHYS, P107, DOI DOI 10.1002/9780470143582.CH2
[9]   MANY-BODY PERTURBATION-THEORY AND COUPLED-CLUSTER CALCULATIONS OF THE GROUND-STATE STRUCTURE OF CO3 [J].
CASTRO, MA ;
CANUTO, S ;
SIMAS, AM .
CHEMICAL PHYSICS LETTERS, 1991, 177 (01) :98-102
[10]  
CASTRO MA, IN PRESS PHYS LETT A