Basis set choice and basis set superposition error (BSSE) in periodic Hartree-Fock calculations on molecular crystals

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2001-01, Vol.3 (8), p.1518-1523
Hauptverfasser:	SPACKMAN, Mark A, MITCHELL, Anthony S
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Crystalline state (including molecular motions in solids) Exact sciences and technology Physics Structure of solids and liquids crystallography Theory of crystal structure, crystal symmetry calculations and modeling
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doi_str_mv	10.1039/b009159f
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source	Royal Society of Chemistry Journals Archive (1841-2007); Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects	Condensed matter: structure, mechanical and thermal properties Crystalline state (including molecular motions in solids) Exact sciences and technology Physics Structure of solids and liquids crystallography Theory of crystal structure, crystal symmetry calculations and modeling
title	Basis set choice and basis set superposition error (BSSE) in periodic Hartree-Fock calculations on molecular crystals
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