Hydrogen and Lithium Orbitals Using a Hartree Eigenvalue Method
Hydrogen and Lithium Orbitals Using a Hartree Eigenvalue Method
This Demonstration shows how to numerically calculate radial 1s and 2s orbitals of hydrogen and lithium. A Hartree eigenvalue method is applied to a 300×300 square matrix with a step size of au. The method uses the fact that the interaction potential between electrons can be simplified significantly for simple atoms. Numerically solving for eigenvalues and eigenfunctions of the Schrödinger equation with such a potential is carried out using an iterative process.
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