Chapuisat, X.
Belafhal, A.
Nauts, André
[UCL]
After a brief review of the basic algebraic ingredients needed to express the quantum-mechanical Hamiltonian of an /b 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.
Bibliographic reference |
Chapuisat, X. ; Belafhal, A. ; Nauts, André. /b N/-body quantum-mechanical Hamiltonians: extrapotential terms. In: Journal of Molecular Spectroscopy, Vol. 149, no. 1, p. 274-304 (1991) |
Permanent URL |
http://hdl.handle.net/2078.1/66317 |