Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aakl_v2_0.gz(25 Kbytes)|
|Manuscript Title: A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation.|
|Authors: K.M.S. Saxena|
|Program title: SPINORBIT WEIGHTS 2|
|Catalogue identifier: AAKL_v2_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 13(1977)193|
|Programming language: Fortran.|
|Computer: AMDAHL 470 V/6.|
|Operating system: MTS.|
|RAM: 26K words|
|Word size: 8|
|Keywords: Atomic physics, Configuration Interaction, Wave function, Spin-orbit coupling, l-s coupling, Fine structure, Complex atoms, Atomic spectra.|
|ACQB_v1_0||P SHELL C.F.P.||CPC 1(1969)15|
|ACQC_v2_0||A NEW D SHELL CFP||CPC 6(1973)88|
|AAGD_v2_0||A NEW VERSION OF NJSYM||CPC 8(1974)151|
Nature of problem:
This program is a revision of Klotz's program for calculation of the matrix elements of the one-body spin-orbit interaction using multiconfigurational wave-functions. A recent correction has been included in the present version.
Reasons for new version:
The input and output formats have been changed to a more familiar, readable and convenient spectroscopic notation. In addition, a punch option has been added to punch the results which could be directly used for energy levels calculation for various j-manifolds.
This is a double-precision program suitable for computers with short word lengths such as the IBM S360, AMdahl 470 V/6.
Time of 1.1 seconds is required for the test run on Amdahl 470 V/6.
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