Mott transitions with partially filled correlated orbitals
نویسندگان
چکیده
منابع مشابه
Molecular calculations with two-center correlated orbitals
The usual building blocks of molecular orbital theory are one-center atomic orbitals. If we instead use two-center orbitals derived from the exact solution for H2 , a simple calculation of the H2 binding energy yields 4.5 eV, with a Hylleraas correlation factor having no adjustable parameters. Variational minimization with respect to a couple of parameters in our trial function then shifts the ...
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Y. Ōno, M. Potthoff,* and R. Bulla Department of Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602, Japan Lehrstuhl Festkörpertheorie, Institut für Physik, Humboldt-Universität zu Berlin, D-10115 Berlin, Germany Theoretische Physik III, Elektronische Korrelationen und Magnetismus, Institut für Physik, Universität Augsburg, D-86135 Augsburg, Germany ~Received 18 November 2002; pu...
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D. Semmler,1 K. Byczuk,2,3 and W. Hofstetter1 1Institut für Theoretische Physik, Johann Wolfgang Goethe-Universität, 60438 Frankfurt am Main, Germany 2Institute of Theoretical Physics, Warsaw University, ul. Hoża 69, 00-681 Warszawa, Poland 3Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute for Physics, University of Augsburg, 86135 Augsburg, Germany Received ...
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ژورنال
عنوان ژورنال: EPL (Europhysics Letters)
سال: 2017
ISSN: 0295-5075,1286-4854
DOI: 10.1209/0295-5075/118/17004