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Manuscript Title: A relativistic program for optical response in atoms using a time- dependent local density approximation.
Authors: D.A. Liberman, A. Zangwill
Program title: DAVID
Catalogue identifier: AAMM_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 32(1984)75
Programming language: Fortran.
Computer: CRAY 1, CDC 7600.
Operating system: CTSS, LTSS.
RAM: 45K words
Word size: 64
Peripherals: disc.
Keywords: Atomic physics, Structure, Self-consistent field SCF, Local density approximation (LDA), Photoabsorption, Internal conversion, Polarizability, Random phase approximation (RPA), Time dependent local density approximation TDLDA, Linear response.
Classification: 2.1.

Nature of problem:
The program does relativistic SCF calculations for atoms and ions in stationary states. It also calculates the response of atoms and ions to a weak external oscillating field taking account of the most important collective effects. The output includes static and dynamic polarizabilities and photoabsorption and partial photoemission cross sections.

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

Restrictions:
Large Z atoms may be too time consuming for a slow computer. Open shells use an average-over-configuration approximation that reduces accuracy where they are important.

Unusual features:
A choice of potential functions can be made. Electric multipoles of all order are possible. Internal conversion in the long wavelength limit can be calculated.

Running time:
On the Cray 1 computer a few seconds for initial state and a second or so for each frequency in the TDLDA calculation.