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Minimization Methods for the One-Particle Dirac Equation

Dolbeault, Jean; Esteban, Maria J.; Séré, Eric; Vanbreugel, Michel (2000), Minimization Methods for the One-Particle Dirac Equation, Physical Review Letters, 85, 19, p. 4020-4023. http://dx.doi.org/10.1103/PhysRevLett.85.4020

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Type
Article accepté pour publication ou publié
Date
2000
Journal name
Physical Review Letters
Volume
85
Number
19
Publisher
American Physical Society
Pages
4020-4023
Publication identifier
Metadata
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Author(s)
Dolbeault, Jean cc
Esteban, Maria J. cc
Séré, Eric
Vanbreugel, Michel
Abstract (EN)
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 variational collapse and the appearance of 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.
Subjects / Keywords
eigenstates; eigenvalues; Dirac equations