- 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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