
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 publiéDate
2000Journal name
Physical Review LettersVolume
85Number
19Publisher
American Physical Society
Pages
4020-4023
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Show full item recordAbstract (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 equationsRelated items
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Dolbeault, Jean; Esteban, Maria J.; Séré, Eric (2002) Article accepté pour publication ou publié