Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adox_v1_0.gz(14 Kbytes)|
|Manuscript Title: Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions.|
|Authors: L. Lugosi, L. Sarkadi|
|Program title: MTRDCOUL|
|Catalogue identifier: ADOX_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 141(2001)73|
|Programming language: Fortran.|
|Computer: IBM compatible PC.|
|Operating system: MS-DOS.|
|RAM: 200K words|
|Word size: 8|
|Keywords: Coulomb interaction, Matrix elements, Ionization, Relativistic hydrogenic wave functions, Dirac-Coulomb functions, Multipole series expansion, Atomic physics.|
Nature of problem:
The theoretical description of the excitation and ionization of atoms by charged particle impact often requires the knowledge of the matrix elements of the Coulomb interaction. The program MTRDCOUL calculates the matrix elements between bound and free states represented by relativistic hydrogenic wave functions.
The multipole series expansion of the Coulomb potential is used to solve the problem. The program uses the subprograms F3Y  (catalogue identifier: AAQQ) and DCOUL  (catalogue identifier: ADBP). The subprograms are included in the distributed program.
The matrix elements are calculated with the following restrictions. The initial bound states are limited to 1s1/2, 2s1/2, 2p1/2, 2p3/2, 3s1/2, 3p1/2, 3p3/2, 3d3/2, 3d5/2. The quantum number l in the final state has a maximum value of 10.
The test run requires about 170 s.
|||A. Liberato de Brito, Comput. Phys. Commun. 25 (1982) 81.|
|||F. Salvat, J.M. Fernandez-Varea, W. Williamson Jr., Comput. Phys. Commun. 90 (1995) 151.|
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