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Manuscript Title: Automatic generation of analytical matrix elements for electron-atom
scattering. | ||

Authors: E.J. Mansky, M.R. Flannery | ||

Program title: Vij | ||

Catalogue identifier: ADAX_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 88(1995)278 | ||

Programming language: Fortran. | ||

Computer: IBM RS/6000 model 520. | ||

Operating system: AIX 3.1.7, HP-UX 8.07, 9.01. | ||

RAM: 4K words | ||

Word size: 32 | ||

Peripherals: disc. | ||

Keywords: Atomic physics, Scattering, Electron, Interaction matrix Elements, Inelastic, Analytical electron-atom, Matrix elements, Hartree-fock, Frozen-core, Wave functions. | ||

Classification: 2.4, 2.7. | ||

Nature of problem:Generation of individual or complete sets of analytical interaction matrix elements for use in electron-atom scattering codes. | ||

Solution method:The core of the present program is a generalization of a hydrogenic interaction matrix elements code of Jamieson [1] which has been extended to deal with both electron-hydrogen and electron-helium interaction matrix elements. In the case of He, the Hartree-Fock frozen-core wavefunctions of Cohen and McEachran and co-workers [2,3] are used in the representation of the Slater form of the two-electron wavefunctions required in the matrix element calculation. | ||

Restrictions:There are no limits on the number of individual matrix elements which be generated at a given time. In generating complete sets of matrix elements the program is limited to orbitals with principal quantum number n<=6. The restriction n<=6 can be relaxed for H, but cannot at present be relaxed for He due to the use of the frozen-core Hartree-Fock wavefunctions [2,3]. | ||

Running time:between 4 and 24 seconds | ||

References: | ||

[1] | M.J. Jamieson, Comp. Phys. Commun. 1(1970)437. | |

[2] | M. Cohen and R.P. McEachran, Proc. Phys. Soc. 92(1967)37. | |

[3] | R.P. McEachran and M. Cohen, J. Phys. B: At. Mol. Phys. 2(1969)1271. |

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