10.9k citations
- Centre National de la Recherche ScientifiqueFR212 papers
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Showing 2012 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2012★ 42 cited
Ab initio complex band structure of conjugated polymers: Effects of hydrid DFT and GW schemes
Andrea Ferretti, Giuseppe Mallia, Layla Martin-Samos +4
The non-resonant tunneling regime for charge transfer across nanojunctions is critically dependent on the so-called β parameter, governing the exponential decay of the current as t…
cond-mat.mtrl-sci2012★ 24 cited
Optimized Effective Potential Using The Hylleraas Variational Method
Tom W. Hollins, Stewart J. Clark, Keith Refson +1
In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional…