Quatro alternativas para resolver a equação de Schrödinger para o átomo de hidrogênio

Química Nova

Rogério Custodio²  José Roberto Dos Santos Politi²  Maximiliano Segala²  Roberto Luiz Andrade Haiduke²  Márcio Cyrillo¹ 

[1] ,Universidade Estadual de Campinas Instituto de Química Departamento de Físico-QuímicaCampinas SP

关键词: hydrogen atom;    Schrödinger equation;    numerical methods;   

DOI  :  10.1590/S0100-40422002000100025

来源: SciELO

【 摘 要 】

Quantum chemistry describes the hydrogen atom as one of the few systems that permits an exact solution of the Schrödinger equation. Students tend to consider that little can be learned from the hydrogen atom and forget that it can be used as a standard to test numerical procedures used to calculate properties of multielectronic systems. In this paper, four different numerical procedures are described in order to solve the Schrödinger 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.

【 授权许可】

CC BY-NC   
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