Зарегистрироваться
Восстановить пароль
FAQ по входу

Fischer C.F. The Hartree-Fock method for atoms. A numerical approach

  • Файл формата djvu
  • размером 2,47 МБ
  • Добавлен пользователем , дата добавления неизвестна
  • Отредактирован
Fischer C.F. The Hartree-Fock method for atoms. A numerical approach
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
  • Чтобы скачать этот файл зарегистрируйтесь и/или войдите на сайт используя форму сверху.
  • Регистрация