Microscopic Theory for Spontaneous Fission
نویسندگان
چکیده
منابع مشابه
Microscopic theory of singlet exciton fission. III. Crystalline pentacene.
We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstra...
متن کاملMicroscopic theory of singlet exciton fission. I. General formulation.
Singlet fission, a spin-allowed energy transfer process generating two triplet excitons from one singlet exciton, has the potential to dramatically increase the efficiency of organic solar cells. However, the dynamical mechanism of this phenomenon is not fully understood and a complete, microscopic theory of singlet fission is lacking. In this work, we assemble the components of a comprehensive...
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The spontaneous fission lifetimes have been studied microscopically by minimizing the collective action integral in a two-dimensional collective space of quadrupole moments (Q20, Q22) representing elongation and triaxiality. The microscopic collective potential and inertia tensor are obtained by solving the self-consistent HartreeFock-Bogoliubov (HFB) equations with the Skyrme energy density fu...
متن کاملMicroscopic Theory of Spontaneous Decay in a Dielectric
Abstract The local field correction to the spontanous dacay rate of an impurity source atom imbedded in a disordered dielectric is calculated to second order in the dielectric density. The result is found to differ from predictions associated with both ”virtual” and ”real” cavity models of this decay process. However, if the contributions from two dielectric atoms at the same position are inclu...
متن کاملMicroscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange.
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. We address a longstanding theoretical issue, namely whether singlet fission proceeds via two sequ...
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ژورنال
عنوان ژورنال: Frontiers in Physics
سال: 2020
ISSN: 2296-424X
DOI: 10.3389/fphy.2020.567171