A floating spherical gaussian orbital model for polymers: I. general formalism and computational procedure
- 19 January 1976
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 10 (S10), 99-105
- https://doi.org/10.1002/qua.560100810
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
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- Ab Initio Calculations on Large MoleculesPublished by Elsevier ,1972
- Ab initio calculations on large molecules using molecular fragments. Benzene and naphthalene isomer characterizations and aromaticity considerationsJournal of the American Chemical Society, 1971
- All-electrons band structure of polyethylene in the nearest cell approximationChemical Physics Letters, 1970
- Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an ExampleThe Journal of Chemical Physics, 1967
- Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional CasePhysical Review B, 1967