Sample calculation

For the 1s orbital of hydrogen

           

..\WaveFunction\Del2.doc

 

In Hartrees the Schrödinger equation is [..\WaveFunction\SeqnVariance.docx]

     

At the origin

      

So that the value of EH is ½

The expectation value of V is

Use importance sampling with g(r) = exp(-αr)  [ImportanceSampling.doc]