N-BODY QUANTUM-MECHANICAL HAMILTONIANS - EXTRAPOTENTIAL TERMS

被引:76
作者
CHAPUISAT, X
BELAFHAL, A
NAUTS, A
机构
[1] UNIV PARIS 11,CTR SCI ORSAY,CHIM THEOR LAB,CNRS,URA 506,F-91405 ORSAY,FRANCE
[2] UNIV CHOUAIB DOUKKALI,FAC SCI,DEPT PHYS,EL JADIDA,MOROCCO
[3] CATHOLIC UNIV LOUVAIN,ECOLE PHARM,B-1200 BRUSSELS,BELGIUM
关键词
D O I
10.1016/0022-2852(91)90159-8
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
After a brief review of the basic algebraic ingredients needed to express the quantum-mechanical Hamiltonian of an N-body system in terms of curvilinear coordinates and quasi-momentum operators, the effect of changing the normalization convention is thoroughly investigated, with special emphasis on the occurrence of a nondifferential term in the expression of the kinetic energy operator, the so-called "extrapotential" term. Four examples are presented, concerning various parametrizations and various referentials, for acetylene-like molecules. © 1991.
引用
收藏
页码:274 / 304
页数:31
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