Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange

C. Berkelbach, Timothy; S. Hybertsen, Mark; R. Reichman, David

doi:10.1063/1.4794427

Public

Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange

Published in The Journal of Chemical Physics • Mar 15, 2013

Authors:

Timothy C. Berkelbach

Mark S. Hybertsen

David R. Reichman

Abstract

We apply our theoretical formalism for singlet exciton fission, introduced in the previous paper [T. C. Berkelbach, M. S. Hybertsen, and D. R. Reichman, J. Chem. Phys. 138, 114102 (2013)] to molecular dimers of pentacene, a widely studied material that exhibits singlet fission in the crystal phase. ...

Subject

Superexchange

Singlet fission

Exciton

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