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Title:

Numerical solver of the time-dependent Schrödinger equation with Coulomb singularities

Document type:
Zeitschriftenaufsatz
Author(s):
Gordon, A.; Jirauschek, C.; Kartner, F.X.
Abstract:
This paper addresses a very fundamental and important problem in the numerical analysis of atomic and molecular systems: How to discretize Hamiltonians with divergent potential terms, such as Coulomb singularities. At the point of a Coulomb singularity, the wave function cannot be described by a Taylor series expansion, which results in problems when standard discretization schemes are used. We propose using the known asymptotic form of the wave function near the singularity instead of the (none...     »
Journal title:
Phys. Rev. A 73, 042505
Year:
2006
Year / month:
2006-04
Quarter:
2. Quartal
Month:
Apr
Language:
en
Fulltext / DOI:
doi:10.1103/PhysRevA.73.042505
WWW:
http://journals.aps.org/pra/abstract/10.1103/PhysRevA.73.042505
Publisher:
American Physical Society.
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