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An accurate solution of the two-centre Dirac equation for H+2 by the finite-element method

โœ Scribed by L. Yang; D. Heinemann; D. Kolb

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
220 KB
Volume
178
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A two-dimensional, fully numerical approach to the four-component Dirac equation using the finite-element-method (FEM) is employed for a diatomic system. For H: , an absolute accuracy of about 1 O-lo au for the la, orbital energy is obtained by using only 2601 grid points. Using a difference method, the relativistic energy correction can be calculated with an accuracy of about lo-" au.

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