Artículos de revistas
Four alternatives to solve Schrodinger equation.
Registro en:
Quimica Nova. Soc Brasileira Quimica, v. 25, n. 1, n. 159, n. 170, 2002.
0100-4042
WOS:000173582200025
10.1590/S0100-40422002000100025
Autor
Custodio, R
Politi, JRD
Segala, M
Haiduke, RLA
Cyrillo, M
Institución
Resumen
Quantum chemistry describes the hydrogen atom as one of the few systems that permits an exact solution of the Schrodinger equation. Students tend to consider that little can be teamed from the hydrogen atom and forget that it can be used as a standard to test numerical procedures used to calculate proper-ties of multielectronic systems, In this paper, four different numerical procedures are described in order to solve the Schrodinger equation for the hydrogen atom. The basic motivation is to identify new insights and methods that can be obtained from the application of powerful numerical techniques in a well-known system. 25 1 159 170