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Second-order density functional calculations of the MgFH potential energy surface

โœ Scribed by Virgilio Sanz; Alfredo Aguado; Miguel Paniagua


Book ID
114142772
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
441 KB
Volume
426
Category
Article
ISSN
0166-1280

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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 ลฝ . electron correlation in two-configuration direct minimization TCDM ab initio electronic ลฝ . energy calculations of three-dimensi