예제 #1
0
파일: sho.py 프로젝트: vperic/sympy
def R_nl(n, l, nu, r):
    """
    Returns the radial wavefunction R_{nl} for a 3d isotropic harmonic
    oscillator.

    ``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 import var
    >>> var("r nu l")
    (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)*(-2*r**2 + 3/2)*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)/(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) * laguerre_l(n - 1, l + S(1) / 2,
                                                     2 * nu * r**2)
예제 #2
0
파일: sho.py 프로젝트: benglard/sympy
def R_nl(n, l, nu, r):
    """
    Returns the radial wavefunction R_{nl} for a 3d isotropic harmonic
    oscillator.

    ``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 import var
    >>> var("r nu l")
    (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)*(-2*r**2 + 3/2)*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)/(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)*laguerre_l(n-1, l + S(1)/2, 2*nu*r**2)