Sunday, September 19, 2021

A Really Simple SCF Calculation ( Helium atom )

Selfconsistent field calculations have great historical significance and play a major role in contemporary quantum chemistry. Therefore, the purpose of this exercise is to illustrate with an interactive example the simplest possible selfconsistent field calculation for atomic systems. The SCF method is particularly transparent in  theMathcad programming environment as will be shown below.

 

https://faculty.csbsju.edu/frioux/scf/scf-he.pdf 

 

 

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