00-364 J. DOLBEAULT, M.J. ESTEBAN, E. SERE, M. VANBREUGEL
Minimization methods for the one-particle Dirac equation. (25K, LaTeX 2E + RevTeX) Sep 17, 00
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Abstract. Taking into account relativistic effects in quantum chemistry is crucial for accurate computations involving heavy atoms. Standard numerical methods can deal with the problem of {\rm variational collapse} and the appearance of {\rm spurious roots} only in special cases. The goal of this letter is to provide a general and robust method to compute particle bound states of the Dirac equation.

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