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New Approach to the Quantum‐Mechanical Analysis of the Electronic Structures of Molecules. The Method of Deformed Atoms in Molecules
1.H. M. James and A. S. Coolidge, J. Chem. Phys. 1, 825 (1933).
2.The generalized Heitler‐London method means the extended treatment for the valence bond method introduced by Heitler and London, in which the ionic structures and the excited structures are taken into account.
3.W. Moffitt, Proc. Roy. Soc. (London) A210, 245 (1951).
4.C. W. Scherr, J. Chem. Phys. 22, 149 (1954).
5.A. Rahman, Physica 20, 623 (1954).
6.S. Wienbaum, J. Chem. Phys. 1, 593 (1933).
7.S. C. Wang, Phys. Rev. 31, 579 (1928).
8.Y. Sugiura, Z. Physik 45, 484 (1927).
9.The electronic arrangement means the configuration of the system of electrons together with and Hence it is different from the electronic configuration in the usual sense. For example, configuration of an atom contains the several degenerate states for various and values owing to the spherical symmetry of an atom. But an arrangement contains only those with viz., and
10.For instance, E. M. Corson, Perturbation Method in the Quantum Mechanics of n‐Electron Systems (Hafner Publishing Company, New York, 1951), Chap. X.
11.W. Moffitt, Proc. Roy. Soc. (London) A218, 486 (1953).
12.By operating the correction factors, sets of the basic functions become different for each of n electrons and a common set which corresponds to ’s in case of a free atom does not exist.
13.T. Arai, J. Chem. Phys. 26, 451 (1957), this issue.
14.The calculations of the present table have been performed by Mr. K. Ohno and Mr. T. Itoh (private communication).
15.J. C. Slater, Phys. Rev. 36, 57 (1930).
16.J. O. Hirschfelder and J. W. Linnett, J. Chem. Phys. 18, 130 (1950).
17.H. M. James and A. S. Coolidge, Phys. Rev. 49, 688 (1936); see reference 10.
18.T. Arai and T. Onishi, J. Chem. Phys. 26, 70 (1957).
19.Refer to the discussion in Sec. 4.
20. and are represented by the same component function but we regard that they are the twofold degenerate states.
21.The author has calculated the energy levels of by taking account of six electrons and the disadvantage for the method of atoms in molecules concluded by Rahman has been assured.
22.The detailed discussion and the result will be published soon.
23.Kotani, Ishiguro, Mizuno, and Kayama, Progr. Repts. No. 4, 11 (Research Group for the Study of Molecular Structure, University of Tokyo, Tokyo, Japan, December, 1955).
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