A Kohn-Sham method involving the direct determination of the Coulomb potential on a numerical grid
β Scribed by Volker Termath; Nicholas C. Handy
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 764 KB
- Volume
- 230
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Eigenfunctions and eigenvalues of the Schrtiinger equation are determined by propagating the Schrodinger equation in imaginary time. The method is based on representing the Hamiltonian operation on a grid. The kinetic energy is calculated by the Fourier method. The propagation operator is expanded i
On the basis of the Coulomb cut-off potential model [Z, 31 electrical conductivity calculations for a H-Plasma are carried out in a temperature and density range 8000 K 5 T 5 50000 K and 1018 om-3 5 n, 5 1024 The electron-ion scattering is included by the semiclassical result given in [2, 31, where