Title
Molecular conductance in relation to inverse transport theory and to chemical bond order
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
New York, N.Y. ,
Subject
Mathematics
Physics
Chemistry
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Volume/pages
112(2012) :1 , p. 99-102
ISSN
0020-7608
ISI
000304405800011
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
McCaskill and March (MM) have derived a resistivity theory in the form of a quotient, the numerator of which is a force-force correlation function. The denominator has the form 1 - b, where MM forge a link between the quantity b and bound states. Evidently, as b tends to unity, one approaches a metal-insulator transition, which has potential relevance for molecular conductance. In addition, Klein was involved in early work in this area, in which contact is established with chemical bond order. Practical examples of this are discussed in this article. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112: 99-102, 2012
E-info
https://repository.uantwerpen.be/docman/iruaauth/ed92b7/bbd2060.pdf
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