Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding

Author(s)

Mark A. Iron
Andreas Heyden, University of South Carolina - ColumbiaFollow
Grażyna Staszewska
Donald G. Truhlar

Document Type

Article

Subject Area(s)

Engineering, Chemical Engineering

Publication Info

Postprint version. Published in Journal of Chemical Theory and Computation, Volume 4, Issue 5, 2008, pages 804-818.

© Journal of Chemical Theory and Computation, 2008, American Chemical Society

Iron, M. A., Heyden, A., Staszewska, G., Truhlar, D. G. (2008). Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding, Journal of Chemical Theory and Computation, 4(5), 804-818.

http://dx.doi.org/10.1021/ct700343t

Rights

© Journal of Chemical Theory and Computation, 2008, American Chemical Society

Iron, M. A., Heyden, A., Staszewska, G., Truhlar, D. G. (2008). Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding, Journal of Chemical Theory and Computation, 4(5), 804-818.

http://dx.doi.org/10.1021/ct700343t