✦ LIBER ✦

Unified approach to molecular structure and molecular vibrations

✍ Scribed by Joel M. Cohen; David Z. Goodson

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 931 KB
Volume: 59
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)59:6<445::aid-qua2>3.0.co;2-y

No coin nor oath required. For personal study only.

✦ Synopsis

First-order dimensional perturbation theory is used to construct a Hamiltonian for the H: molecule without the Born-Oppenheimer approximation. The physical model that emerges has the three particles undergoing harmonic oscillations about a bent symmetric configuration. Despite its simplicity, the theory yields correct results for the ground-state energy, for the equilibrium intemuclear distance, and for vibrational frequencies. Although the standard dimensional continuation of the Schrodinger equation leads to dissociation at large D, this model remains stable due to a quadratic polynomial in 1/D that is included in the potential energy. This Hamiltonian is a suitable starting point for a large-order perturbation expansion-in 1/D. 0

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