Автор |
I I Gegusin |
Автор |
L I Leontieva |
Дата выпуска |
1990-07-02 |
dc.description |
A method assigned to solve exactly the Schrodinger equation with non-muffin-tin crystal potential is numerically tested. The approach is based on the Green function technique. It differs from the conventional multiple-scattering methods in that the wave field psi <sub>k</sub> is sought at some points within a cell rather than at the boundaries. The empty lattice and three-dimensional Mathieu problems are studied with the emphasis on convergence properties. Generally, the convergence is governed by three independent parameters, resulting as a consequence of the truncation of some infinite series, namely, the expansions of the Green function, potential and wavefunction psi <sub>k</sub> sought. It is numerically shown that, by increasing the three parameters mentioned, the calculated energy eigenvalues approach the exact ones. |
Формат |
application.pdf |
Издатель |
Institute of Physics Publishing |
Название |
An exact band-structure method applied to the three-dimensional Mathieu problem |
Тип |
paper |
DOI |
10.1088/0953-8984/2/26/005 |
Electronic ISSN |
1361-648X |
Print ISSN |
0953-8984 |
Журнал |
Journal of Physics: Condensed Matter |
Том |
2 |
Первая страница |
5689 |
Последняя страница |
5702 |
Аффилиация |
I I Gegusin; Inst. of Phys., Rostov State Univ., USSR |
Аффилиация |
L I Leontieva; Inst. of Phys., Rostov State Univ., USSR |
Выпуск |
26 |