User: Guest  Login
Document type:
Zeitschriftenaufsatz 
Author(s):
Gordon, A.; Jirauschek, C.; Kartner, F.X. 
Title:
Numerical solver of the time-dependent Schrödinger equation with Coulomb singularities 
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 
Publisher:
American Physical Society.