| Journal: | Revista mexicana de física |
| Database: | PERIÓDICA |
| System number: | 000438769 |
| ISSN: | 0035-001X |
| Authors: | Rojas, R.A1 Aquino, N1 |
| Institutions: | 1Universidad Autónoma Metropolitana, Departamento de Física, Iztapalapa, Ciudad de México. México |
| Year: | 2019 |
| Season: | Mar-Abr |
| Volumen: | 65 |
| Number: | 2 |
| Country: | México |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Analítico, teórico |
| English abstract | A variational treatment of the hydrogen atom in its ground state, enclosed by a hard spherical cavity of radius Rc, is developed by considering the ansatz wavefunction as the product of the free-atom 1s orbital times a cut-off function to satisfy the Dirichlet boundary condition imposed by the impenetrable confining sphere. Seven different expressions for the cut-off function are employed to evaluate the energy, the cusp condition, the Shannon entropy and the critical cage radius, as a function of R c in each case. We investigate which of the proposed cut-off functions provides best agreement with available corresponding exact calculations for the above quantities. We find that most of these cut-off functions work better in certain regions of R c, while others are identified to give bad results in general. The cut-off functions that give, on average, better results are of the form ( 1 - ( r / R c ) n ), n = 1, 2, 3 |
| Disciplines: | Física y astronomía |
| Keyword: | Física atómica y molecular, Atomo de hidrógeno confinado, Función de corte, Condiciones de frontera de Dirichlet |
| Keyword: | Atomic and molecular physics, Confined hydrogen atom, Cut-off function, Dirichlet boundary conditions |
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