Dispersion interaction in hydrogen-chain models
نویسندگان
چکیده
منابع مشابه
Dispersion interaction in hydrogen-chain models.
We have investigated the dispersion interaction in hydrogen chain models via density functional theory-based symmetry-adapted perturbation theory using the asymptotically corrected PBE0 energy functional. The quasimetallic and the insulating prototype systems were chosen to be hydrogen chains with equally and alternately spaced H(2) units, respectively. The dependence of the dispersion energy o...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3563596