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- W2916468140 abstract "We present a method to compute optical spectra and exciton binding energies of molecules and solids based on the solution of the Bethe-Salpeter equation (BSE) and the calculation of the screened Coulomb interaction in finite field. The method does not require the explicit evaluation of dielectric matrices nor of virtual electronic states, and can be easily applied without resorting to the random phase approximation. In addition it utilizes localized orbitals obtained from Bloch states using bisection techniques, thus greatly reducing the complexity of the calculation and enabling the efficient use of hybrid functionals to obtain single particle wavefunctions. We report exciton binding energies of several molecules and absorption spectra of condensed systems of unprecedented size, including water and ice samples with hundreds of atoms." @default.
- W2916468140 created "2019-03-02" @default.
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- W2916468140 date "2019-06-14" @default.
- W2916468140 modified "2023-09-23" @default.
- W2916468140 title "Finite-Field Approach to Solving the Bethe-Salpeter Equation" @default.
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- W2916468140 doi "https://doi.org/10.1103/physrevlett.122.237402" @default.
- W2916468140 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31298883" @default.
- W2916468140 hasPublicationYear "2019" @default.
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