Application of second-order density func
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Alfredo Aguado; Virgilio Sanz; Miguel Paniagua
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Article
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1997
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John Wiley and Sons
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English
⚖ 238 KB
👁 2 views
Second-order density functional methods where the correlation energy depends on the . second-order density matrix and on a density functional are used to introduce the Ž . electron correlation in two-configuration direct minimization TCDM ab initio electronic Ž . energy calculations of three-dimensi