Gaussian-Expansion Methods for Molecular Integrals

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概要

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• The Gaussian-expansion method for the evaluation of molecular integrals is described. The molecular integrals over the Slater-type functions are chosen as numerical examples, but the method can be applied to integrals over any other functions as long as the functions can duly be expressed in terms of Gaussian-type functions. A fairly detailed description is presented of the mathematical analysis with the purpose of facilitating the computer coding.

• 社団法人日本物理学会の論文
• 1966-11-05

著者

• Taketa Hiroshi

  General Education Department Kyushu University

• HUZINAGA Sigeru

  General Education Department, Kyushu University

• O-OHATA Kiyosi

  General Education Department, Kyushu University

• O-ohata Kiyosi

  General Education Department Kyushu University

• Huzinaga Sigeru

  General Education Department Kyushu University

• Taketa H.

  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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