Hybrid functionals based on a screened Coulomb potential
Hybrid density functionals are very successful in describing a wide range of molecular properties accurately. In large molecules and solids, however, calculating the exact (Hart...
Publications
2 shownEnergy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
This work assesses the Heyd-Scuseria-Ernzerhof (HSE) screened Coulomb hybrid density functional for the prediction of lattice constants and band gaps using a set of 40 simple an...
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Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 20,022
- Institution
- Rice University
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h-index
2
h-index: Number of publications with at least h citations each.