Fischer C.F. The Hartree-Fock method for atoms. A numerical approach
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John Wiley & Sons, New York, London, 1977, 318 pp. - ISBN 0-471-25990-X In 1957 Douglas R. Hartree published his book The Calculation of Atomic Structures, in which he derived the Hartree-Fock equations and described numerical procedures for their solution. The book reflected the state of the art at that time. The emphasis was on single-configuration approximations, configurations with at most one open shell, and Z-dependent theory was introduced primarily as a means of obtaining good initial estimates. Since then our understanding of the Hartree-Fock approximation has increased greatly, particularly with respect to excited states, where the orthogonality requirement between orbitals plays an important role, and new numerical procedures have had to be devised. At the same time the importance of correlation has been recognized and Z-dependent perturbation theory has shown the need for a multiconfiguration approximation. Contents The Hartree-Fock approach The single-configuration Hartree-Fock approximation Correlation in many-electron systems The MCHF equations and results Initio determination of atomic properties Numerical solution of Hartree-Fock equations General numerical procedures Numerical solution of the MCHF problem References Appendix: atomic structure programs Index
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