The Gauss–Hermite basis set in a tunneling problem

Adhikari, Satrajit ; Billing, Gert D. (1999) The Gauss–Hermite basis set in a tunneling problem Chemical Physics Letters, 309 (3-4). pp. 249-256. ISSN 0009-2614

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Official URL: http://doi.org/10.1016/S0009-2614(99)00681-8

Related URL: http://dx.doi.org/10.1016/S0009-2614(99)00681-8

Abstract

We have investigated the dynamics of a reaction coordinate with or without coupling to a heat bath of harmonic oscillators using the classical path theory based on the Hermite correction to Gaussian wavepackets introduced by Billing. The agreement of the tunneling probability with exact numbers demonstrates the validity of the proposed method which is our main objective in this Letter.

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