Direct calculation of exciton binding energies with time-dependent density-functional theory
نویسندگان
چکیده
منابع مشابه
Time-dependent density-functional approach for exciton binding energies
Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory TDDFT . Starting from a linearization of the TDDFT semiconductor Bloch equations in a two-band model, we derive a simple formalism for calculating exciton binding energies. This formalism leads to a generalization of the standard W...
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متن کاملTight-binding approach to time-dependent density-functional response theory
In this paper we propose an extension of the self-consistent charge-density-functional tight-binding ~SCCDFTB! method @M. Elstner et al., Phys. Rev. B 58, 7260 ~1998!#, which allows the calculation of the optical properties of finite systems within time-dependent density-functional response theory ~TD-DFRT!. For a test set of small organic molecules low-lying singlet excitation energies are com...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2013
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.87.195204