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By Per-Olov Lowdin


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Physik 60,624. HYLLERAAS, E. A. (1930b). Z. Physik 63, 291. HYLLERAAS, E. A. Z. Physik 63, 771. HYLLERAAS, E. A. (193Od). Z. Physik 65,209. HYLLERAAS, E. A. (193Oe). 2. Physik 66,453. HYLLERAAS, E. A. (1932). Skri/ler Norske Videnskaps Akad. -Nafurv. KI. No. 6. HYLLERAAS, E. A. (1933). Z. Physik 83, 739. HYLLERAAS, E. A. (1960). Phys. Mafh. Univ. Osloen. Insf. Rept. No. 6. HYLLERAAS, E. , and MIDTDAL, J. (1956). Phys. Rev. 829. J. (1958). Phys. Rev. 109, 1013. HYLLERAAS, E. , and MIDTDAL, E. , and UNDHEIM, B.

58 Spin-Free Quantum Chemistry F. A. MATSEN Molecular Physics Crqup The University of Texas Austin, Texas I. Introduction . . 11. The Concept of Chemical Structure . . . . . . . . . . . . . . . . A. Introduction . . B. The Pair Diagram . C. The Structure Vector Space . D. An Algebraic Representation . . . E. The Pair Operator Representation . . . F. The Permutation Vector Space . . G. The Function Representation . . . . H. The Electron, the Hamiltonian and Spin . .

We should then run into the well-known difficulty found with the cellular method, that of matching boundary conditions over the surface of the cell. In the APW method the matching problem is thrown into the much more convenient form of matching over the surfaces of the spheres. It was to obtain this more convenient procedure, and to get an automatic agreement with the Empty Lattice Test, that the writer suggested the APW method (Slater, 1937), just at the time when Shockley (1937) was pointing out that the cellular method as then used, with only a few terms, failed rather badly to satisfy the Empty Lattice Test.

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