Automatic Computation of Electronic Energies of Diatomic Molecules
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概要
- 論文の詳細を見る
A general method for computing electronic energies and wave functions of diatomic molecules is described and arranged in such a way that the processes of the computation are carried through systematically and fully automatically by an electronic computor. The number of electrons in the molecule concerned, values of the nuclear charges and symmetry properties of the molecule are the necessary informations. Symmetry adapted basic functions made up from molecular orbitals are automatically generated and the energy matrix involving them is calculated by using representation matrices of permutation groups.
- 社団法人日本物理学会の論文
- 1963-05-05
著者
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ARAI T.
Department of Periodontics and Endodontics, Tsurumi University School of Dental Medicine
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Arai Tadashi
Department Of Antibiotics Research Institute For Chemobiodynamics Chiba University
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Arai Tadashi
Department Of Chemistry Carnegie Institute Of Technology:argonne Ntational Laboratory
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