Programs in Physics & Physical Chemistry
|[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|
|Keywords: Molecular physics, Elastic, Ion-atom Collisions, Inclusive probabilities, Independent particle, Model.|
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.
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.
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.
REAL*8 and COMPLEX*16 declarations are used.
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.
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