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ArticleJ-GLOBAL ID:200902019076007971整理番号:82A0341585

An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques.

凍結コアと凍結軌道法を用いる遷移金属における基底セットと基底セット重なり誤差(BSSE)の研究

著者:PETTERSSON L(Univ. Stockholm)、WAHLGREN U(Univ. Tromso, Norway)
資料名:Chem Phys 巻:69 号:1/2 ページ:185-192
発行年:1982年07月15日
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