Hello,
I'm currently doing extrapolation calculations using the extrapolate_Peterson.cmp code, and I think I might have found an error; at the beginning of the code, it is written as a comment that the extrapolated energy is:
E(CBS)= [eE(TZ)-E(DZ)+D(-exp(-1)E(TZ)+E(QZ)) ]/[exp(-1)-D(exp(-1)-1)]
with D= [exp(-1)-exp(-5)]/[exp(-9)-exp(-3)]
At the end of the code, the value of D that's calculated is:
D = (exp(-(X-1)^2)-exp(-X^2+1))/(exp(-(X+1)^2)-exp(-X^2-1)) with X=2
I think some parentheses are missing here: in the second exponential, -X^2+1=5 for X=2, and it should be -(X^2+1) for it to be equal to -5.
In the same way, -X^2-1 should be -(X^2-1) for it to be equal to -3.