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The improvement of the TDSCF method for a reaction coordinate coupled to a heat bath

✍ Scribed by Gert D. Billing; Georges Jolicard

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
482 KB
Volume
221
Category
Article
ISSN
0009-2614

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✦ Synopsis

We have investigated the dynamics of a reaction coordinate coupled to a heat bath of harmonic oscillators and show that it is possible to introduce a simple correction to the SCF scheme such that good agreement with exact numbers is obtained for the tunneling probability.

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