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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_0Distribution 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. | ||

Classification: 2.1. | ||

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. | ||

Solution method:Differential equations are solved by standard numerical methods. Self- consistency is obtained by iteration using appropriate relaxation methods. | ||

Restrictions: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. | ||

Unusual features:A considerable variety of options are available that make the program a flexible tool for the user. | ||

Running time: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. |

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