Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] aclu_v1_0.gz(11 Kbytes)
Manuscript Title: Calculation of inclusive probabilities from single-particle amplitudes.
Authors: P. Kurpick, H.J. Ludde
Program title: INCLUS
Catalogue identifier: ACLU_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 75(1993)127
Programming language: Fortran.
Computer: IBM RISC 6000.
Operating system: UNIX.
RAM: 200K words
Word size: 32
Peripherals: disc.
Keywords: Molecular physics, Elastic, Ion-atom Collisions, Inclusive probabilities, Independent particle, Model.
Classification: 16.7.

Nature of problem:
The program calculates many-particle inclusive probabilities from single-particle amplitudes as obtained within the independent particle model for collisions between ions and atoms.

Solution method:
Inclusive probabilities are given as a sum of determinants of different subsets of the single-particle density matrix. The determinants are calculated with the aid of a Cholesky LU decomposition.

Restrictions:
The number of determinants to be calculated increases dramatically with the number of single-particle levels and subsets involved in the experimental question. The only restrictions are, thus, due to memory (see also the variable MAXCMB in the code) and computing time available.

Unusual features:
REAL*8 and COMPLEX*16 declarations are used.

Running time:
The running time depends strongly on the complexity of the experimental question. The test run takes about 0.1 second on an IBM RISC 6000/550.