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- W2046635012 abstract "First-order dimensional perturbation theory is used to construct a Hamiltonian for the H+2 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 internuclear distance, and for vibrational frequencies. Although the standard dimensional continuation of the Schrödinger 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. © 1996 John Wiley & Sons, Inc." @default.
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- W2046635012 date "1996-01-01" @default.
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- W2046635012 title "Unified approach to molecular structure and molecular vibrations" @default.
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- W2046635012 doi "https://doi.org/10.1002/(sici)1097-461x(1996)59:6<445::aid-qua2>3.0.co;2-y" @default.
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