Cahiers du CEREMADE

Unité Mixte de Recherche du C.N.R.S. N°7534
 
Abstract : This paper is devoted to the numerical computation of energy levels of Dirac operators with applications in atomic and molecular physics. Our approach is based at a theoretical level on a rigourous variational method. This provides a numerical method which is free of the numerical drawbacks which are often present in discretized relativistic approaches. It is moreover independent of the geometry and monotone: eigenvalues are approximated from above. We illustrate our numerical approach by the computation of the ground state in atomic and diatomic configurations using B-splines.
 
 
A VARIATIONAL METHOD FOR RELATIVISTIC COMPUTATIONS IN ATOMIC AND MOLECULAR PHYSICS.
DOLBEAULT Jean, ESTEBAN Maria J., SERE Eric
2002-8
25-03-2002
 
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