Computational Atomic Physics (PDF)

"Computational Atomic Physics" deals with computational methods for calculating electron (and positron) scattering from atoms and ions, including elastic scattering, excitation, and ionization processes. After an introductory chapter on atomic collision theory, two chapters are devoted to the bound-state wavefunctions. A description of perturbative methods is followed by discussions of the standard non-perturbative close-coupling theory, the R-matrix method, and the recently developed "convergent-close-coupling" approach. The details of calculating accurate Coulomb and Bessel functions are treated as well. Finally, the calculation of scattering amplitudes is discussed and an introduction to the density-matrix theory is given. The book provides a practical application of advanced quantum mechanics. The abstract equations of general scattering theory are reduced to numerically solvable differential and integral equations, and computer codes for the solution are provided. Numerous suggested problems in the text and ten programs on a diskette contribute to a deeper understanding of the field. The diskette The 10 program packages included on a 3 1/2" MS-DOS diskette are written in standard FORTRAN 77 and run on any computer that fulfills the following system requirements: 16MB RAM, MS-DOS 3.30 or higher; 486 DX processor with numerical coprocessor. The FORTRAN 77 source files allow for modification of the programs; therefore a FORTRAN 77 compiler is also needed. Example input and output files are provided for the text cases. * COREPOT core potentials * CIV3 atomic structure * DWBA first order distorted wave program for excitation * DWBIA first order distorted wave program for ionization * CCPA close-coupling for positron-atom scattering * RMATREX R-matrix program for electron-atom scattering * CCC convergent close-coupling * COUL90 Coulomb and Bessel functions