Geometry.Net - the online learning center
Home  - Scientists - Hartree Douglas
e99.com Bookstore
  
Images 
Newsgroups
Page 6     101-102 of 102    Back | 1  | 2  | 3  | 4  | 5  | 6 
A  B  C  D  E  F  G  H  I  J  K  L  M  N  O  P  Q  R  S  T  U  V  W  X  Y  Z  

         Hartree Douglas:     more books (23)
  1. Numerical analysis. Second Edition by Douglas R Hartree, 1958
  2. Calculating Instruments and Machines by Douglas R Hartree, 1949
  3. Calculating Machines: Recent and Prospective Developments and Their Impact on Mathematical Physics, andCalculating Instruments and Machines (Charles Babbage Institute Reprint) by Douglas Hartree, 1984-02-10
  4. Douglas Rayner Hartree: His Life in Science and Computing by Charlotte Froese Fischer, 2004-01
  5. Douglas Rayner Hartree: An entry from Gale's <i>Science and Its Times</i>
  6. Mathematical Physicists: Nikolay Bogolyubov, Reinhard Oehme, Asghar Qadir, Douglas Hartree, E. T. Whittaker, Peter Guthrie Tait
  7. Physicien Anglais: Isaac Newton, Stephen Hawking, John Randall, William Whiston, Jim Al-Khalili, Frederick Lindemann, Douglas Hartree (French Edition)
  8. On an equation occurring in Falkner and Skan's approximate treatment of the equations of the boundary layer. with: HARTREE & Bertha SWIRLES. The effect of configuration interaction on the low terms of the spectra of oxygen. by Douglas Rayner (1897-1958). HARTREE, 1937-01-01
  9. The Calculation of Atomic Structures by Douglas R. Hartree, 1957
  10. Wave functions for negative ions of sodium and potassium. by Douglas Rayner (1897-1958) & W. HARTREE. HARTREE, 1938-01-01
  11. Calculating machines;: Recent and prospective developments and their impact on mathematical physics, inaugural lecture by Douglas R Hartree, 1947
  12. A METHOD FOR THE NUMERICAL OR MECHANICAL SOLUTION OF CERTAIN TYPES OF PARTIAL DIFFERENTIAL EQUATIONS and TIME-LAG IN A CONTROL SYSTEM -II. In Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, Vol. 161, pps. 353-366 and pp. 460-476. by Douglas R., J. R. Womersley., A. Callendee., A. B. Stevenson. HARTREE, 1937-01-01
  13. Calculating Instruments & Machines 1ST Edition by Douglas R Hartree, 1949
  14. Self-consistent field, including exchange and super-position of configurations, with some results for oxygen. by Douglas Rayner (1897-1958), et al. HARTREE, 1940-01-01

101. Douglas Hartree Université Montpellier II
Translate this page douglas hartree (1897-1958). Cette image et la biographie complète en anglaisrésident sur le site de l’université de St Andrews Écosse
http://ens.math.univ-montp2.fr/SPIP/article.php3?id_article=1246

102. 9. Relativistic All-electron Approximations
The (spinfree) one-electron douglas-Kroll approximation has been implemented.The use of relativistic effects from this douglas-Kroll approximation can be
http://www.emsl.pnl.gov/docs/nwchem/doc/user/node11.html
Next: 10. Hartree-Fock or Self-consistent Up: user Previous: 8. Effective Core Potentials Contents
Subsections
9. Relativistic All-electron Approximations
All methods which include treatment of relativistic effects are ultimately based on the Dirac equation, which has a four component wave function. The solutions to the Dirac equation describe both positrons (the ``negative energy'' states) and electrons (the ``positive energy'' states), as well as both spin orientations, hence the four components. The wave function may be broken down into two-component functions traditionally known as the large and small components; these may further be broken down into the spin components. The implementation of approximate all-electron relativistic methods in quantum chemical codes requires the removal of the negative energy states and the factoring out of the spin-free terms. Both of these may be achieved using a transformation of the Dirac Hamiltonian known in general as a Foldy-Wouthuysen transformation. Unfortunately this transformation cannot be represented in closed form for a general potential, and must be approximated. One popular approach is that originally formulated by Douglas and Kroll and developed by Hess . This approach decouples the positive and negative energy parts to second order in the external potential (and also fourth order in the fine structure constant

A  B  C  D  E  F  G  H  I  J  K  L  M  N  O  P  Q  R  S  T  U  V  W  X  Y  Z  

Page 6     101-102 of 102    Back | 1  | 2  | 3  | 4  | 5  | 6 

free hit counter