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The basis set convergence of the density functional energy for H2

✍ Scribed by Kim Aa Christensen; Frank Jensen


Book ID
108313177
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
82 KB
Volume
317
Category
Article
ISSN
0009-2614

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Total energies of molecules with the loc
✍ Kazuo Kitaura; Chikatoshi Satoko; Keiji Morokuma πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 504 KB

Is Augst 1979 TOTAL ENERGIES OF MOLECULES WITH THE LOCAL DENSITY FUNCTIONAL APPROXIMATION AND GAUSSLAN BASIS SETS ELIZUO KITAURA, Chikatoshi SATOKO end Keiji biOROKUhlA Im~inirc for \_tIokcuIar Scimcr. ni.daiji\_ Okazaki 4-M. Japan Rtxched 2 1 11.~ 1979 Total energies of small molecuk~ xtere calcula