Self-consistent field - towards Hartree- Fock method

Files to work on   Self-consistent field program ( FORTRAN, 1963 Herman & Skillman ) fortran3.zip       The collection of files for Mac, Windows and Unix          SCF-work - Hartree (1995 Stockholm Course)  Oct 14 18:03         1331335 Bytes Many_Electrons_Atoms_2008.pdf      The text used in the lecture Dec 1 2008 815179 Bytes Fortran code         SCF-work - Hartree (1995 Stockholm Course) Mac and Windows  - executable code in the above zip-file

Unix-Linux Users (including Mac Users - g95 for Mac available)  Use the     herman3.f       and      radhyd3.f      FORTRAN SOURCES compile by gfortran -o herman3   herman3.f      (  replace gfortran   by the compiler you have,                                                             e.g. g95  g77 ......  fortran .....   ) and execute as described in the course SCF-work - Hartree (1995 Stockholm Course) but nowadays with ./herman3 < in13                     ( dot slash before the code name; security is the reason .... )

on windows cd   D:\some_data\your_names\fortran3                (or where is your working directory wiyh fortran3 herman3 < in13      in the com.exe  window           (cd   to the correct directory first )

Pictures and notes

Ionization potential  - is the apparent (over-all) binding energy of the least bound electron.
I say apparent - because the "binding" can be larger - but the repulsion reduces it.
Experimentally it is exactly defined - the energy needed to free one electron
(except, it should be called ionization energy and not potential - historical reasons (why do you think) )
 0-Ionization-potentials.png 
Here we can have another homework or puzzle: 
The binding energy should increase with Z*Z roughly - or perhaps a little bit like Z (discuss it)
so why exactly do we have the "back jumps down at 11, 19, 37 ..... 


Reference: http://web.ift.uib.no/AMOS/PHYS261/2010.10.14/index.html