Tetrahedral harmonics revisited

被引:12
|
作者
Wormer, PES [1 ]
机构
[1] Catholic Univ Nijmegen, Inst Theoret Chem, NSR RIM, NL-6525 ED Nijmegen, Netherlands
关键词
D O I
10.1080/00268970110086318
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
Linear combinations of spherical harmonics are derived that are adapted to the molecular symmetry group T-d(M) and its isomorphic point groups T-d and O. The alternating group T(M), consisting of even permutations, is the semi-direct product V-4(S)C-3, where C-3 = {E, (123), (132)} is a cyclic group and V-4 = {E, (12) (34), (13) (24), (14) (23)}. Further T-d (M) = T(M) (S) {E, (12)*}. This structure of the group enables one to write down simple closed expressions for basis functions. Using the program Maple, tables up to and including l = 10 are generated.
引用
收藏
页码:1973 / 1980
页数:8
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