High accuracy Dirac-finite-element (FEM) calculations for H-2(+) and Th-2(179+)

Authors
Kullie, O Kolb, D
Citation
O. Kullie et D. Kolb, High accuracy Dirac-finite-element (FEM) calculations for H-2(+) and Th-2(179+), EUR PHY J D, 17(2), 2001, pp. 167-173
Citations number
26
Categorie Soggetti
Physics
Journal title
EUROPEAN PHYSICAL JOURNAL D
ISSN journal
14346060 → ACNP
Volume
17
Issue
2
Year of publication
2001
Pages
167 - 173
Database
ISI
SICI code
1434-6060(200111)17:2<167:HAD(CF>2.0.ZU;2-P
Abstract
A two-dimensional, fully numerical approach to the four-component first-ord er Dirac-differential equation utilizing the Finite-Element-Method (FEM) is employed for H-2(+) and Th-2(179+) Using elliptic-hyperbolic coordinates a nd further one-dimensional singular transformations, scaling transformation s and extrapolation techniques (geometrical over iteration steps and logari thmic over grid points) ve achieve for the molecules H-2(+) and Th-2(179+) relative accuracies better than 10(-12) for 1(112)g energies.