Nonorthogonality Problem and Effective Electronic Coupling Calculation: Application to Charge Transfer in π-Stacks Relevant to Biochemistry and Molecular Electronics

Title
Nonorthogonality Problem and Effective Electronic Coupling Calculation: Application to Charge Transfer in π-Stacks Relevant to Biochemistry and Molecular Electronics
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 7, Issue 6, Pages 1712-1725
Publisher
American Chemical Society (ACS)
Online
2011-04-27
DOI
10.1021/ct200192d

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