Equidensity orbitals in resultant-information description of electronic states
نویسندگان
چکیده
منابع مشابه
A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states.
We present a very general form of electronic friction as present when a molecule with multiple orbitals hybridizes with a metal electrode. To develop this picture of friction, we embed the quantum-classical Liouville equation (QCLE) within a classical master equation (CME). Thus, this article extends our previous work analyzing the case of one electronic level, as we may now treat the case of m...
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ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2019
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-019-2487-1