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spherical_harmonics.py
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spherical_harmonics.py
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from ...core import Dummy, Function, I, pi, sympify
from ...core.function import ArgumentIndexError
from ..combinatorial.factorials import factorial
from ..elementary.complexes import Abs
from ..elementary.exponential import exp
from ..elementary.miscellaneous import sqrt
from ..elementary.trigonometric import cos, cot, sin
from .polynomials import assoc_legendre
_x = Dummy('dummy_for_spherical_harmonics')
class Ynm(Function):
r"""
Spherical harmonics defined as
.. math::
Y_n^m(\theta, \varphi) := \sqrt{\frac{(2n+1)(n-m)!}{4\pi(n+m)!}}
\exp(i m \varphi)
\mathrm{P}_n^m\left(\cos(\theta)\right)
Ynm() gives the spherical harmonic function of order `n` and `m`
in `\theta` and `\varphi`, `Y_n^m(\theta, \varphi)`. The four
parameters are as follows: `n \geq 0` an integer and `m` an integer
such that `-n \leq m \leq n` holds. The two angles are real-valued
with `\theta \in [0, \pi]` and `\varphi \in [0, 2\pi]`.
Examples
========
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> Ynm(n, m, theta, phi)
Ynm(n, m, theta, phi)
Several symmetries are known, for the order
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> Ynm(n, -m, theta, phi)
(-1)**m*E**(-2*I*m*phi)*Ynm(n, m, theta, phi)
as well as for the angles
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> Ynm(n, m, -theta, phi)
Ynm(n, m, theta, phi)
>>> Ynm(n, m, theta, -phi)
E**(-2*I*m*phi)*Ynm(n, m, theta, phi)
For specific integers n and m we can evaluate the harmonics
to more useful expressions
>>> simplify(Ynm(0, 0, theta, phi).expand(func=True))
1/(2*sqrt(pi))
>>> simplify(Ynm(1, -1, theta, phi).expand(func=True))
sqrt(6)*E**(-I*phi)*sin(theta)/(4*sqrt(pi))
>>> simplify(Ynm(1, 0, theta, phi).expand(func=True))
sqrt(3)*cos(theta)/(2*sqrt(pi))
>>> simplify(Ynm(1, 1, theta, phi).expand(func=True))
-sqrt(6)*E**(I*phi)*sin(theta)/(4*sqrt(pi))
>>> simplify(Ynm(2, -2, theta, phi).expand(func=True))
sqrt(30)*E**(-2*I*phi)*sin(theta)**2/(8*sqrt(pi))
>>> simplify(Ynm(2, -1, theta, phi).expand(func=True))
sqrt(30)*E**(-I*phi)*sin(2*theta)/(8*sqrt(pi))
>>> simplify(Ynm(2, 0, theta, phi).expand(func=True))
sqrt(5)*(3*cos(theta)**2 - 1)/(4*sqrt(pi))
>>> simplify(Ynm(2, 1, theta, phi).expand(func=True))
-sqrt(30)*E**(I*phi)*sin(2*theta)/(8*sqrt(pi))
>>> simplify(Ynm(2, 2, theta, phi).expand(func=True))
sqrt(30)*E**(2*I*phi)*sin(theta)**2/(8*sqrt(pi))
We can differentiate the functions with respect
to both angles
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> diff(Ynm(n, m, theta, phi), theta)
m*cot(theta)*Ynm(n, m, theta, phi) + E**(-I*phi)*sqrt((-m + n)*(m + n + 1))*Ynm(n, m + 1, theta, phi)
>>> diff(Ynm(n, m, theta, phi), phi)
I*m*Ynm(n, m, theta, phi)
Further we can compute the complex conjugation
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> m = Symbol('m')
>>> conjugate(Ynm(n, m, theta, phi))
(-1)**(2*m)*E**(-2*I*m*phi)*Ynm(n, m, theta, phi)
To get back the well known expressions in spherical
coordinates we use full expansion
>>> theta = Symbol('theta')
>>> phi = Symbol('phi')
>>> expand_func(Ynm(n, m, theta, phi))
E**(I*m*phi)*sqrt((2*n + 1)*factorial(-m + n)/factorial(m + n))*assoc_legendre(n, m, cos(theta))/(2*sqrt(pi))
See Also
========
diofant.functions.special.spherical_harmonics.Ynm_c
diofant.functions.special.spherical_harmonics.Znm
References
==========
* https://en.wikipedia.org/wiki/Spherical_harmonics
* https://mathworld.wolfram.com/SphericalHarmonic.html
* http://functions.wolfram.com/Polynomials/SphericalHarmonicY/
* https://dlmf.nist.gov/14.30
"""
@classmethod
def eval(cls, n, m, theta, phi):
n, m, theta, phi = [sympify(x) for x in (n, m, theta, phi)]
# Handle negative index m and arguments theta, phi
if m.could_extract_minus_sign():
m = -m
return (-1)**m * exp(-2*I*m*phi) * Ynm(n, m, theta, phi)
if theta.could_extract_minus_sign():
theta = -theta
return Ynm(n, m, theta, phi)
if phi.could_extract_minus_sign():
phi = -phi
return exp(-2*I*m*phi) * Ynm(n, m, theta, phi)
# TODO Add more simplififcation here
def _eval_expand_func(self, **hints):
n, m, theta, phi = self.args
rv = (sqrt((2*n + 1)/(4*pi) * factorial(n - m)/factorial(n + m)) *
exp(I*m*phi) * assoc_legendre(n, m, cos(theta)))
# We can do this because of the range of theta
return rv.subs({sqrt(-cos(theta)**2 + 1): sin(theta)})
def fdiff(self, argindex=4):
if argindex == 3:
# Diff wrt theta
n, m, theta, phi = self.args
return (m * cot(theta) * Ynm(n, m, theta, phi) +
sqrt((n - m)*(n + m + 1)) * exp(-I*phi) * Ynm(n, m + 1, theta, phi))
elif argindex == 4:
# Diff wrt phi
n, m, theta, phi = self.args
return I * m * Ynm(n, m, theta, phi)
else: # diff wrt n, m, etc
raise ArgumentIndexError(self, argindex)
def _eval_rewrite_as_sin(self, n, m, theta, phi):
return self.rewrite(cos)
def _eval_rewrite_as_cos(self, n, m, theta, phi):
# This method can be expensive due to extensive use of simplification!
from ...simplify import simplify, trigsimp
# TODO: Make sure n \in N
# TODO: Assert |m| <= n ortherwise we should return 0
term = simplify(self.expand(func=True))
# We can do this because of the range of theta
term = term.xreplace({Abs(sin(theta)): sin(theta)})
return simplify(trigsimp(term))
def _eval_conjugate(self):
# TODO: Make sure theta \in R and phi \in R
n, m, theta, phi = self.args
return (-1)**m * self.func(n, -m, theta, phi)
def as_real_imag(self, deep=True, **hints):
# TODO: Handle deep and hints
n, m, theta, phi = self.args
re = (sqrt((2*n + 1)/(4*pi) * factorial(n - m)/factorial(n + m)) *
cos(m*phi) * assoc_legendre(n, m, cos(theta)))
im = (sqrt((2*n + 1)/(4*pi) * factorial(n - m)/factorial(n + m)) *
sin(m*phi) * assoc_legendre(n, m, cos(theta)))
return re, im
def Ynm_c(n, m, theta, phi):
r"""Conjugate spherical harmonics defined as
.. math::
\overline{Y_n^m(\theta, \varphi)} := (-1)^m Y_n^{-m}(\theta, \varphi)
See Also
========
diofant.functions.special.spherical_harmonics.Ynm
diofant.functions.special.spherical_harmonics.Znm
References
==========
* https://en.wikipedia.org/wiki/Spherical_harmonics
* https://mathworld.wolfram.com/SphericalHarmonic.html
* http://functions.wolfram.com/Polynomials/SphericalHarmonicY/
"""
from .. import conjugate
return conjugate(Ynm(n, m, theta, phi))
class Znm(Function):
r"""
Real spherical harmonics defined as
.. math::
Z_n^m(\theta, \varphi) :=
\begin{cases}
\frac{Y_n^m(\theta, \varphi) + \overline{Y_n^m(\theta, \varphi)}}{\sqrt{2}} &\quad m > 0 \\
Y_n^m(\theta, \varphi) &\quad m = 0 \\
\frac{Y_n^m(\theta, \varphi) - \overline{Y_n^m(\theta, \varphi)}}{i \sqrt{2}} &\quad m < 0 \\
\end{cases}
which gives in simplified form
.. math::
Z_n^m(\theta, \varphi) =
\begin{cases}
\frac{Y_n^m(\theta, \varphi) + (-1)^m Y_n^{-m}(\theta, \varphi)}{\sqrt{2}} &\quad m > 0 \\
Y_n^m(\theta, \varphi) &\quad m = 0 \\
\frac{Y_n^m(\theta, \varphi) - (-1)^m Y_n^{-m}(\theta, \varphi)}{i \sqrt{2}} &\quad m < 0 \\
\end{cases}
See Also
========
diofant.functions.special.spherical_harmonics.Ynm
diofant.functions.special.spherical_harmonics.Ynm_c
References
==========
* https://en.wikipedia.org/wiki/Spherical_harmonics
* https://mathworld.wolfram.com/SphericalHarmonic.html
* http://functions.wolfram.com/Polynomials/SphericalHarmonicY/
"""
@classmethod
def eval(cls, n, m, theta, phi):
n, m, th, ph = [sympify(x) for x in (n, m, theta, phi)]
if m.is_positive:
zz = (Ynm(n, m, th, ph) + Ynm_c(n, m, th, ph)) / sqrt(2)
return zz
elif m.is_zero:
return Ynm(n, m, th, ph)
elif m.is_negative:
zz = (Ynm(n, m, th, ph) - Ynm_c(n, m, th, ph)) / (sqrt(2)*I)
return zz