The improvement of the TDSCF method for
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Gert D. Billing; Georges Jolicard
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Article
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1994
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Elsevier Science
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English
⚖ 482 KB
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.