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rsta.royalsocietypublishing.org Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter
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Document Date: 2014-02-25 16:00:56


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Company

Fock B3LYP LDA / BP / /

Country

France / /

Currency

pence / /

/

Facility

University Joseph Fourier / /

IndustryTerm

self-energy operator expectation value / reference molecular systems / experimental ionization energy / experimental characterization tools / energy position / gas phase donor / self-energy / organic electronics / high-level coupledcluster quantum chemical approaches / self-energy operator / kinetic energy / mean-field solution / organic molecular systems / energy gap / Online version / experimental energy / energy representation3 / gas phase organic molecules / exchange energy / to extended systems / self-energy formulation / energy-dependence / energy scales / finite size systems / electronics / molecular organic systems / electronic energy levels / potential energy surfaces / energy dependence / high-energy / chemical physics / energy-dependent dielectric function / energy representation / quasi-particle energy differences / ionization energy / periodic bulk organic systems / re-injecting solutions / organic systems / calculated and experimental energy gaps / energy derivative / molecular systems / gas phase molecules / gas phase organic systems / neutral and charged systems / large gas phase organic molecules / energy terms / gas phase cytosine / energy / /

Organization

Institut Néel / Royal Society / /

Person

Axel Becke / Joseph Fourier / /

Position

Author / perturbation theory Author / /

Technology

semiconductors / dielectric / spectroscopy / /

URL

http /

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