Variational Calculation of Atoms and Molecules by a Modified Hassé Method Using Hulthén Functions. I. Hydrogen and Helium Atoms
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概要
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A modification of the Hassé method is presented in an attempt to describe perturbed systems. This method resolves divergence difficulties which are often encountered when the simple Kirkwood-Hassé method or Unsöld approximation is used for the coulombic perturbation problems. The procedure is illustrated for the perturbed hydrogen atom; energy values which are close to the exact ones are thus obtained. The method is also applied to the case of the ground-state helium atom; a closed-form expression of the energy is thus derived. The optimized value is −2.8983 a. u. Some other discussions are given in connection with the perturbation theory.
- 公益社団法人 日本化学会の論文
著者
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Fukui Kenichi
Department Of Chemistry Graduate School Of Science The University Of Tokyo
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Yamabe Tokio
Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University
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Ishimaru Shingo
Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University
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