Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aaml_v1_0.gz(27 Kbytes)|
|Manuscript Title: A nonrelativistic program for optical response in atoms using a time- dependent local density approximation.|
|Authors: A. Zangwill, D.A. Liberman|
|Program title: GOLIATH|
|Catalogue identifier: AAML_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 32(1984)63|
|Programming language: Fortran.|
|Computer: CRAY 1.|
|Operating system: CTSS, LTSS.|
|RAM: 168K words|
|Word size: 64|
|Keywords: Atomic physics, Structure, Self-consistent field Scf, Local density Approximation :lda>, Photoabsorption, Polarizability, Random phase Approximation :rpa>, Time dependent local Density approximation Tdlda, Linear response.|
Nature of problem:
The program does SCF calculations for atoms and ions in stationary states. It also calculates the response of an atom or ion to a weak external oscillating field taking account of the most important collective effects. The main output includes static and dynamic polarizabilities and photoabsorption and partial photoemission cross sections.
Differential equations are solved by standard numerical methods. Self- consistency is obtained by iteration using appropriate relaxation methods.
With small or slow computers, high Z atoms may not be possible. Open- shell atoms use an average-over-configuration approximation that may reduce the ultility of the calculations.
A considerable variety of options are available that make the program a flexible tool for the user.
On the CRAY 1 computer, a few seconds for the initial state SCF calculation and less than a second for each frequency in the TDLDA calculation.
|Disclaimer | ScienceDirect | CPC Journal | CPC | QUB|