Luis A. Agapito

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20122016

ab ini t i o

tight-binding Hamiltonians: effective tools for electronic transport and optical spectroscopy from first principles

40 citations · 57 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2016★ 40 cited

Accurate $ab ini t i o$ tight-binding Hamiltonians: effective tools for electronic transport and optical spectroscopy from first principles

Pino D'Amico, Luis A. Agapito, Alessandra Catellani +5

The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computa…

cond-mat.mtrl-sci2015

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: a validation of the ACBN0 functional

Priya Gopal, Marco Fornari, Stefano Curtarolo +3

We study the physical properties of Zn $X$ ( $X$ =O, S, Se, Te) and Cd $X$ ( $X$ =O, S, Se, Te) in the zinc-blende, rock-salt, and wurtzite structures using the recently developed fully…

Accurate ab initio tight-binding Hamiltonians: effective tools for electronic transport and optical spectroscopy from first principles

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: a validation of the ACBN0 functional

Accurate $ab ini t i o$ tight-binding Hamiltonians: effective tools for electronic transport and optical spectroscopy from first principles