Saturday, January 28, 2006

 

Hydrogen Molecules Energy

syms r R a positive;
syms u;
for iter=1:1:5
Pl=simplify(1/2^iter/factorial(iter)*diff((u*u-1)^iter, u, iter));
lPHIr=simplify(int(exp(-sqrt(4*a*r*u-r*r-4*a*a))*Pl, u, -1, 1)/2);
%PHI=simplify(int(exp(-r)*r^(1-iter)*PHIr, r, 0, inf))
lPHI_R1=simplify(int(exp(-r)*lPHIr*r^(iter+2), r, 0, R))
lPHI_R1=simplify(lPHI_R1/R^(iter+1))
lPHI_R2=simplify(int(exp(-r)*lPHIr/r^(iter-1), r, R, inf))
lPHI_R2=simplify(lPHI_R2*R^iter)
lPsiR=lPHI_R1+lPHI_R2
lPhiR=simplify(int(exp(-sqrt(4*a*R*u-R*R-4*a*a))*Pl, u, -1, 1)/2);

PsiR=int(exp(-sqrt(4*R*a*mu-R*R-4*a*a)), mu, -1, 1)/2;
Vabab=int(PHIl*R^(iter+2)*PsiR, R, 0, inf)
end


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