Hyperspherical harmonics for polyatomic systems: Basis set for kinematic rotations

被引:33
作者
Aquilanti, V
Beddoni, A
Lombardi, A
Littlejohn, R
机构
[1] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[2] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
关键词
N-body problem; hyperspherical coordinates; hyperspherical harmonics; kinematic invariants; kinematic rotation space;
D O I
10.1002/qua.10278
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
In a symmetrical hyperspherical framework, the internal coordinates for the treatment of N-body systems are conveniently broken up into kinematic invariants and kinematic rotations. Kinematic rotations describe motions that leave unaltered the moments of the inertia of the N-body system and perform the permutation of particles. This article considers the corresponding expansions of the wave function in terms of hyperspherical harmonics giving explicit examples for the four-body case, for which the space of kinematic rotations (the "kinetic cube") is the space SO(3)/V-4 and then the related eigenfunctions will provide a basis on such manifold, as well as be symmetrical with respect to the exchange of identical particles (if any). V-4 is also denoted as D-2. The eigenfunctions are obtained studying the action of projection operators for V-4 on Wigner D-functions. When n of the particles are identical, the exchange symmetry can be obtained using the projection operators for the S group. This eigenfunction expansion basis set for kinematic rotations can be also of interest for the mapping of the potential energy surfaces. (C) 2002 Wiley Periodicals, Inc.
引用
收藏
页码:277 / 291
页数:15
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