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Автор J P Perdew
Автор S H Vosko
Дата выпуска 1976-08-01
dc.description Local effective electron-ion potentials for metals are constructed from a priori calculations of the electron density around an ion embedded in an electron gas. These effective potentials fold certain higher order contributions to the cohesive energy into a lower order calculation. The dynamical matrix is evaluated to second and third order in the effective potential. When band structure effects are included in the energy denominators of the response functions, the lithium phonon frequencies calculated with no empirical input are in excellent agreement with experiment.
Формат application.pdf
Издатель Institute of Physics Publishing
Название Phonon frequencies of lithium from a local effective potential
Тип paper
DOI 10.1088/0305-4608/6/8/005
Print ISSN 0305-4608
Журнал Journal of Physics F: Metal Physics
Том 6
Первая страница 1421
Последняя страница 1431
Аффилиация J P Perdew; Dept. of Phys., Rutgers Univ., New Brunswick, NJ, USA
Аффилиация S H Vosko; Dept. of Phys., Rutgers Univ., New Brunswick, NJ, USA
Выпуск 8

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