Abstract
A method for solving the coupled channel equation for potentials with a Coulomb singularity is presented: At small r, where the Coulomb term is dominant, the solution is expressed by using the variation of constants method in terms of the Coulomb functions Fl and Gl. At large r, where the Coulomb potential is no longer important, one returns to the usual variable phase method which expresses the solution in terms of Bessel functions and Neumann functions. Furthermore, the use of an interpolation scheme for the energy dependence considerably reduces the amount of computation. The advantages of this approach when used in conjunction with the point group symmetry are illustrated by using a realistic potential taken from a full potential linearized augmented plane wave (FLAPW) calculation for Cu.
| Original language | English |
|---|---|
| Pages (from-to) | 120-128 |
| Number of pages | 9 |
| Journal | Computer Physics Communications |
| Volume | 82 |
| Issue number | 2-3 |
| DOIs | |
| Publication status | Published - 1994 |
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ASJC Scopus subject areas
- Computer Science Applications
- Physics and Astronomy(all)
Cite this
Coupled channel equation for potentials with a Coulomb singularity. / Badralexe, E.; Marksteiner, P.; Oh, Yoonsik; Freeman, A. J.
In: Computer Physics Communications, Vol. 82, No. 2-3, 1994, p. 120-128.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Coupled channel equation for potentials with a Coulomb singularity
AU - Badralexe, E.
AU - Marksteiner, P.
AU - Oh, Yoonsik
AU - Freeman, A. J.
PY - 1994
Y1 - 1994
N2 - A method for solving the coupled channel equation for potentials with a Coulomb singularity is presented: At small r, where the Coulomb term is dominant, the solution is expressed by using the variation of constants method in terms of the Coulomb functions Fl and Gl. At large r, where the Coulomb potential is no longer important, one returns to the usual variable phase method which expresses the solution in terms of Bessel functions and Neumann functions. Furthermore, the use of an interpolation scheme for the energy dependence considerably reduces the amount of computation. The advantages of this approach when used in conjunction with the point group symmetry are illustrated by using a realistic potential taken from a full potential linearized augmented plane wave (FLAPW) calculation for Cu.
AB - A method for solving the coupled channel equation for potentials with a Coulomb singularity is presented: At small r, where the Coulomb term is dominant, the solution is expressed by using the variation of constants method in terms of the Coulomb functions Fl and Gl. At large r, where the Coulomb potential is no longer important, one returns to the usual variable phase method which expresses the solution in terms of Bessel functions and Neumann functions. Furthermore, the use of an interpolation scheme for the energy dependence considerably reduces the amount of computation. The advantages of this approach when used in conjunction with the point group symmetry are illustrated by using a realistic potential taken from a full potential linearized augmented plane wave (FLAPW) calculation for Cu.
UR - http://www.scopus.com/inward/record.url?scp=0028495150&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0028495150&partnerID=8YFLogxK
U2 - 10.1016/0010-4655(94)90161-9
DO - 10.1016/0010-4655(94)90161-9
M3 - Article
VL - 82
SP - 120
EP - 128
JO - Computer Physics Communications
JF - Computer Physics Communications
SN - 0010-4655
IS - 2-3
ER -