Created
August 30, 2012 21:08
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| from sympy import var, Function, sqrt, exp | |
| P = Function("P") | |
| V = Function("V") | |
| var("r E l") | |
| eq = P(r).diff(r, 2) - 2*(V(r) - E + l*(l+1)/(2*r**2)) * P(r) | |
| print "Schroedinger equation:" | |
| print eq | |
| print "For Coulombic potential:" | |
| var("Z") | |
| eq = eq.subs(V(r), -Z/r) | |
| print eq | |
| print "Transform lam = sqrt(-2*E):" | |
| var("lam") | |
| # lam = sqrt(-2*E) => lam^2 = -2*E => E = -lam^2/2 | |
| eq = eq.subs(E, -lam**2/2) | |
| print eq | |
| print "Transform P(r) = r^{l+1}*e^{-lam*r}*F(r)" | |
| F = Function("F") | |
| eq = eq.subs(P(r), r**(l+1) * exp(-lam*r) * F(r)) | |
| eq = eq.doit().simplify() | |
| print eq | |
| eq = eq/(r**l * exp(-lam*r)) | |
| # This should print: | |
| # 2*Z*F(r) - 2*l*lam*F(r) + 2*l*Derivative(F(r), r) - 2*lam*r*Derivative(F(r), | |
| # r) - 2*lam*F(r) + r*Derivative(F(r), r, r) + 2*Derivative(F(r), r) | |
| print eq | |
| print "Coefficient F(r):" | |
| print eq.coeff(F(r)) | |
| print "Coefficient F'(r):" | |
| print eq.coeff(F(r).diff(r)) | |
| print "Coefficient F''(r):" | |
| print eq.coeff(F(r).diff(r, 2)) | |
| print "Transform x = 2*lambda*r:" | |
| var("x") | |
| eq = eq.subs(r, x/(2*lam)) | |
| print eq |
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| Schroedinger equation: | |
| -(-2*E + l*(l + 1)/r**2 + 2*V(r))*P(r) + Derivative(P(r), r, r) | |
| For Coulombic potential: | |
| -(-2*E - 2*Z/r + l*(l + 1)/r**2)*P(r) + Derivative(P(r), r, r) | |
| Transform lam = sqrt(-2*E): | |
| -(-2*Z/r + l*(l + 1)/r**2 + lam**2)*P(r) + Derivative(P(r), r, r) | |
| Transform P(r) = r^{l+1}*e^{-lam*r}*F(r) | |
| r**l*(2*Z*F(r) - 2*l*lam*F(r) + 2*l*Derivative(F(r), r) - 2*lam*r*Derivative(F(r), r) - 2*lam*F(r) + r*Derivative(F(r), r, r) + 2*Derivative(F(r), r))*exp(-lam*r) | |
| 2*Z*F(r) - 2*l*lam*F(r) + 2*l*Derivative(F(r), r) - 2*lam*r*Derivative(F(r), r) - 2*lam*F(r) + r*Derivative(F(r), r, r) + 2*Derivative(F(r), r) | |
| Coefficient F(r): | |
| 2*Z - 2*l*lam - 2*lam | |
| Coefficient F'(r): | |
| 2*l - 2*lam*r + 2 | |
| Coefficient F''(r): | |
| r | |
| Transform x = 2*lambda*r: | |
| 2*Z*F(x/(2*lam)) - 2*l*lam*F(x/(2*lam)) + 2*l*Subs(Derivative(F(r), r), (r,), (x/(2*lam),)) - 2*lam*F(x/(2*lam)) - x*Subs(Derivative(F(r), r), (r,), (x/(2*lam),)) + 2*Subs(Derivative(F(r), r), (r,), (x/(2*lam),)) + x*Subs(Derivative(F(r), r, r), (r,), (x/(2*lam),))/(2*lam) |
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