A short review on computational issues arising in relativistic atomic and molecular physics
Esteban, Maria J. (2007), A short review on computational issues arising in relativistic atomic and molecular physics, in Le Bris, Claude; Delfour, Michel C.; Bandrauk, André, High-Dimensional Partial Differential Equations in Science and Engineering, American Mathematical Society : Providence, RI, p. 105-116
TypeCommunication / Conférence
Conference titleHigh-dimensional partial differential equations in science and engineering
Book titleHigh-Dimensional Partial Differential Equations in Science and Engineering; High dimensional PDEs
Book authorLe Bris, Claude; Delfour, Michel C.; Bandrauk, André
Number of pages194
MetadataShow full item record
Author(s)Esteban, Maria J.
Abstract (EN)This paper is a short review of computational issues arising when trying to compute electronic wave functions in atoms or molecules containing heavy nuclei. In this case, relativistic eﬀects can play an important role and ad hoc models have to be used. The basic operator of this theories is the Dirac operator, which unlike the Schrödinger operator, is unbounded both from below. This feature creates difficulties both at the theoretical and the computational levels. In this review we discuss some of these issues. A much detailed review about this topic can be found in  .
Subjects / KeywordsMathematical Physics; Analysis of PDEs; Quantum Physics; Physics; Mathematics
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