from sympy.core import S, pi, Rational from sympy.functions import assoc_laguerre, sqrt, exp, factorial, factorial2 def R_nl(n, l, nu, r): """ Returns the radial wavefunction R_{nl} for a 3d isotropic harmonic oscillator. Parameters ========== n : The "nodal" quantum number. Corresponds to the number of nodes in the wavefunction. ``n >= 0`` l : The quantum number for orbital angular momentum. nu : mass-scaled frequency: nu = m*omega/(2*hbar) where `m` is the mass and `omega` the frequency of the oscillator. (in atomic units ``nu == omega/2``) r : Radial coordinate. Examples ======== >>> from sympy.physics.sho import R_nl >>> from sympy.abc import r, nu, l >>> R_nl(0, 0, 1, r) 2*2**(3/4)*exp(-r**2)/pi**(1/4) >>> R_nl(1, 0, 1, r) 4*2**(1/4)*sqrt(3)*(3/2 - 2*r**2)*exp(-r**2)/(3*pi**(1/4)) l, nu and r may be symbolic: >>> R_nl(0, 0, nu, r) 2*2**(3/4)*sqrt(nu**(3/2))*exp(-nu*r**2)/pi**(1/4) >>> R_nl(0, l, 1, r) r**l*sqrt(2**(l + 3/2)*2**(l + 2)/factorial2(2*l + 1))*exp(-r**2)/pi**(1/4) The normalization of the radial wavefunction is: >>> from sympy import Integral, oo >>> Integral(R_nl(0, 0, 1, r)**2*r**2, (r, 0, oo)).n() 1.00000000000000 >>> Integral(R_nl(1, 0, 1, r)**2*r**2, (r, 0, oo)).n() 1.00000000000000 >>> Integral(R_nl(1, 1, 1, r)**2*r**2, (r, 0, oo)).n() 1.00000000000000 """ n, l, nu, r = map(S, [n, l, nu, r]) # formula uses n >= 1 (instead of nodal n >= 0) n = n + 1 C = sqrt( ((2*nu)**(l + Rational(3, 2))*2**(n + l + 1)*factorial(n - 1))/ (sqrt(pi)*(factorial2(2*n + 2*l - 1))) ) return C*r**(l)*exp(-nu*r**2)*assoc_laguerre(n - 1, l + S.Half, 2*nu*r**2) def E_nl(n, l, hw): """ Returns the Energy of an isotropic harmonic oscillator. Parameters ========== n : The "nodal" quantum number. l : The orbital angular momentum. hw : The harmonic oscillator parameter. Notes ===== The unit of the returned value matches the unit of hw, since the energy is calculated as: E_nl = (2*n + l + 3/2)*hw Examples ======== >>> from sympy.physics.sho import E_nl >>> from sympy import symbols >>> x, y, z = symbols('x, y, z') >>> E_nl(x, y, z) z*(2*x + y + 3/2) """ return (2*n + l + Rational(3, 2))*hw