1.Using program gbind prepare plots of the following matrix elements:
<1s|G(R)|1s> , <1s|G(R)|2s>
2.Using the ability of gnuplot to plot analytic functions, find
a
gaussian ( exp(-a*r*r) ),
which fits well the shape of the functions
G(R).
3. Study the matrix elements of
<1s|G(R)|2p>
What is the difference in
shape? Can this be represented by Gaussians? What is the asymptotic
behaviour (for large L) of these functions.
Explanation: The function <1s|G(R)|2p> is obtained by the input ni li nf lf L 1 0 2 0 0 The function <2p|G2(R)|2p>is obtained by the input ni li nf lf L 2 1 2 1 2
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