The Fock space method of vibrational analysis


Por: Jung, C, Taylor, HS

Publicada: 21 jun 2010
Resumen:
A reformulation of a semiclassical theory that presently seems uniquely capable of interpreting generic complex multiresonant vibrational spectra is presented. Once given the spectroscopic Hamiltonian which reveals the set of possible resonant couplings and its eigenstates, the new and old formulations both yield without any further computation level by level dynamical assignments for the spectra. Computing a simple trajectory in phase space reveals the motions that when quantized yield the assigned levels. The reformulation introduces two new projected representations of the wave functions. The first is in action space and the second in angle space. The projected representations often allow the reduced angle space, where nodal searches are made, to be of lower dimension than formally occurred. In addition the action representation is a similarly lower dimension lattice representation whose discreteness and regularity allow higher reduced dimensions to be studied. The lattice represent

Filiaciones:
Jung, C:
 Univ Nacl Autonoma Mexico, Inst Ciencias Fis, Cuernavaca 62251, Morelos, Mexico
ISSN: 00219606





JOURNAL OF CHEMICAL PHYSICS
Editorial
AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA, Estados Unidos America
Tipo de documento: Article
Volumen: 132 Número: 23
Páginas:
WOS Id: 000279032000022
ID de PubMed: 20572701