Methods of Approximation of Molecular Integrals I.

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概要

• 論文の詳細を見る

• The Mulliken and the Sklar approximations for difficult molecular integrals have for some years been the subject of several investigations. So far, however, we are not provided with clear insight into these approximate methods and, accordingly, with sufficiently reliable criteria for the choice between them for each individual case. In this paper a possible answer to the problem is presented by examining carefully the accuracies of these two methods. In addition, a new approximate method is proposed, which is useful when both the Mulliken and the Sklar approximations break down seriously.

• 社団法人日本物理学会の論文
• 1958-10-05

著者

• HUZINAGA Sigeru

  General Education Department, Kyushu University

• Huzinaga Sigeru

  General Education Department Kyushu University

関連論文

• Gaussian-Expansion Methods for Molecular Integrals
• Gaussian Expansions of Atomic Orbitals
• The Interaction between Two Normal Helium Atoms : A Consistent Treatment
• Molecular Integrals
• Methods of Approximation of Molecular Integrals I.
• Molecular Orbital Treatment of 1sσ 2pσ ^3Σ_u State of H_2

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