The application of hypervirial relations to periodic potentials

Autor: C. J. Bradley, D. E. Hughes
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