The application of hypervirial relations to periodic potentials
Autor: | C. J. Bradley, D. E. Hughes |
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Rok vydání: | 2009 |
Předmět: | |
Zdroj: | International Journal of Quantum Chemistry. 1:687-701 |
ISSN: | 1097-461X 0020-7608 |
DOI: | 10.1002/qua.560010675 |
Popis: | An investigation is made of the application of hypervirial relations to problems involving periodic potentials. Necessary and sufficient conditions are established for both diagonal and off-diagonal hypervirial relations to yield solutions of the Schrodinger equation. A practical procedure is described for using these relations which, when used on the Kronig-Penney model, gives rapidly convergent results. |
Databáze: | OpenAIRE |
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