Minimization methods for the one-particle Dirac equation
Dolbeault, Jean ; Esteban, Maria J. ; Séré, Eric ; Vanbreugel, Michel
HAL, hal-00657535 / Harvested from HAL
Text on HAL
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.
Publié le : 2000-11-06
Classification:  PACS numbers: 31.30.Jv, 02.60.Cb, 03.65.Pm, 31.15.Pf,  [PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph],  [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry,  [MATH.MATH-NA]Mathematics [math]/Numerical Analysis [math.NA] 
@article{hal-00657535,
     author = {Dolbeault, Jean and Esteban, Maria J. and S\'er\'e, Eric and Vanbreugel, Michel},
     title = {Minimization methods for the one-particle Dirac equation},
     journal = {HAL},
     volume = {2000},
     number = {0},
     year = {2000},
     language = {en},
     url = {http://dml.mathdoc.fr/item/hal-00657535}
}

Dolbeault, Jean; Esteban, Maria J.; Séré, Eric; Vanbreugel, Michel. Minimization methods for the one-particle Dirac equation. HAL, Tome 2000 (2000) no. 0, . http://gdmltest.u-ga.fr/item/hal-00657535/