#TODO: # -Implement Clebsch-Gordan symmetries # -Improve simplification method # -Implement new simpifications """Clebsch-Gordon Coefficients.""" from sympy.concrete.summations import Sum from sympy.core.add import Add from sympy.core.expr import Expr from sympy.core.function import expand from sympy.core.mul import Mul from sympy.core.power import Pow from sympy.core.relational import Eq from sympy.core.singleton import S from sympy.core.symbol import (Wild, symbols) from sympy.core.sympify import sympify from sympy.functions.elementary.miscellaneous import sqrt from sympy.functions.elementary.piecewise import Piecewise from sympy.printing.pretty.stringpict import prettyForm, stringPict from sympy.functions.special.tensor_functions import KroneckerDelta from sympy.physics.wigner import clebsch_gordan, wigner_3j, wigner_6j, wigner_9j from sympy.printing.precedence import PRECEDENCE __all__ = [ 'CG', 'Wigner3j', 'Wigner6j', 'Wigner9j', 'cg_simp' ] #----------------------------------------------------------------------------- # CG Coefficients #----------------------------------------------------------------------------- class Wigner3j(Expr): """Class for the Wigner-3j symbols. Explanation =========== Wigner 3j-symbols are coefficients determined by the coupling of two angular momenta. When created, they are expressed as symbolic quantities that, for numerical parameters, can be evaluated using the ``.doit()`` method [1]_. Parameters ========== j1, m1, j2, m2, j3, m3 : Number, Symbol Terms determining the angular momentum of coupled angular momentum systems. Examples ======== Declare a Wigner-3j coefficient and calculate its value >>> from sympy.physics.quantum.cg import Wigner3j >>> w3j = Wigner3j(6,0,4,0,2,0) >>> w3j Wigner3j(6, 0, 4, 0, 2, 0) >>> w3j.doit() sqrt(715)/143 See Also ======== CG: Clebsch-Gordan coefficients References ========== .. [1] Varshalovich, D A, Quantum Theory of Angular Momentum. 1988. """ is_commutative = True def __new__(cls, j1, m1, j2, m2, j3, m3): args = map(sympify, (j1, m1, j2, m2, j3, m3)) return Expr.__new__(cls, *args) @property def j1(self): return self.args[0] @property def m1(self): return self.args[1] @property def j2(self): return self.args[2] @property def m2(self): return self.args[3] @property def j3(self): return self.args[4] @property def m3(self): return self.args[5] @property def is_symbolic(self): return not all(arg.is_number for arg in self.args) # This is modified from the _print_Matrix method def _pretty(self, printer, *args): m = ((printer._print(self.j1), printer._print(self.m1)), (printer._print(self.j2), printer._print(self.m2)), (printer._print(self.j3), printer._print(self.m3))) hsep = 2 vsep = 1 maxw = [-1]*3 for j in range(3): maxw[j] = max([ m[j][i].width() for i in range(2) ]) D = None for i in range(2): D_row = None for j in range(3): s = m[j][i] wdelta = maxw[j] - s.width() wleft = wdelta //2 wright = wdelta - wleft s = prettyForm(*s.right(' '*wright)) s = prettyForm(*s.left(' '*wleft)) if D_row is None: D_row = s continue D_row = prettyForm(*D_row.right(' '*hsep)) D_row = prettyForm(*D_row.right(s)) if D is None: D = D_row continue for _ in range(vsep): D = prettyForm(*D.below(' ')) D = prettyForm(*D.below(D_row)) D = prettyForm(*D.parens()) return D def _latex(self, printer, *args): label = map(printer._print, (self.j1, self.j2, self.j3, self.m1, self.m2, self.m3)) return r'\left(\begin{array}{ccc} %s & %s & %s \\ %s & %s & %s \end{array}\right)' % \ tuple(label) def doit(self, **hints): if self.is_symbolic: raise ValueError("Coefficients must be numerical") return wigner_3j(self.j1, self.j2, self.j3, self.m1, self.m2, self.m3) class CG(Wigner3j): r"""Class for Clebsch-Gordan coefficient. Explanation =========== Clebsch-Gordan coefficients describe the angular momentum coupling between two systems. The coefficients give the expansion of a coupled total angular momentum state and an uncoupled tensor product state. The Clebsch-Gordan coefficients are defined as [1]_: .. math :: C^{j_3,m_3}_{j_1,m_1,j_2,m_2} = \left\langle j_1,m_1;j_2,m_2 | j_3,m_3\right\rangle Parameters ========== j1, m1, j2, m2 : Number, Symbol Angular momenta of states 1 and 2. j3, m3: Number, Symbol Total angular momentum of the coupled system. Examples ======== Define a Clebsch-Gordan coefficient and evaluate its value >>> from sympy.physics.quantum.cg import CG >>> from sympy import S >>> cg = CG(S(3)/2, S(3)/2, S(1)/2, -S(1)/2, 1, 1) >>> cg CG(3/2, 3/2, 1/2, -1/2, 1, 1) >>> cg.doit() sqrt(3)/2 >>> CG(j1=S(1)/2, m1=-S(1)/2, j2=S(1)/2, m2=+S(1)/2, j3=1, m3=0).doit() sqrt(2)/2 Compare [2]_. See Also ======== Wigner3j: Wigner-3j symbols References ========== .. [1] Varshalovich, D A, Quantum Theory of Angular Momentum. 1988. .. [2] `Clebsch-Gordan Coefficients, Spherical Harmonics, and d Functions `_ in P.A. Zyla *et al.* (Particle Data Group), Prog. Theor. Exp. Phys. 2020, 083C01 (2020). """ precedence = PRECEDENCE["Pow"] - 1 def doit(self, **hints): if self.is_symbolic: raise ValueError("Coefficients must be numerical") return clebsch_gordan(self.j1, self.j2, self.j3, self.m1, self.m2, self.m3) def _pretty(self, printer, *args): bot = printer._print_seq( (self.j1, self.m1, self.j2, self.m2), delimiter=',') top = printer._print_seq((self.j3, self.m3), delimiter=',') pad = max(top.width(), bot.width()) bot = prettyForm(*bot.left(' ')) top = prettyForm(*top.left(' ')) if not pad == bot.width(): bot = prettyForm(*bot.right(' '*(pad - bot.width()))) if not pad == top.width(): top = prettyForm(*top.right(' '*(pad - top.width()))) s = stringPict('C' + ' '*pad) s = prettyForm(*s.below(bot)) s = prettyForm(*s.above(top)) return s def _latex(self, printer, *args): label = map(printer._print, (self.j3, self.m3, self.j1, self.m1, self.j2, self.m2)) return r'C^{%s,%s}_{%s,%s,%s,%s}' % tuple(label) class Wigner6j(Expr): """Class for the Wigner-6j symbols See Also ======== Wigner3j: Wigner-3j symbols """ def __new__(cls, j1, j2, j12, j3, j, j23): args = map(sympify, (j1, j2, j12, j3, j, j23)) return Expr.__new__(cls, *args) @property def j1(self): return self.args[0] @property def j2(self): return self.args[1] @property def j12(self): return self.args[2] @property def j3(self): return self.args[3] @property def j(self): return self.args[4] @property def j23(self): return self.args[5] @property def is_symbolic(self): return not all(arg.is_number for arg in self.args) # This is modified from the _print_Matrix method def _pretty(self, printer, *args): m = ((printer._print(self.j1), printer._print(self.j3)), (printer._print(self.j2), printer._print(self.j)), (printer._print(self.j12), printer._print(self.j23))) hsep = 2 vsep = 1 maxw = [-1]*3 for j in range(3): maxw[j] = max([ m[j][i].width() for i in range(2) ]) D = None for i in range(2): D_row = None for j in range(3): s = m[j][i] wdelta = maxw[j] - s.width() wleft = wdelta //2 wright = wdelta - wleft s = prettyForm(*s.right(' '*wright)) s = prettyForm(*s.left(' '*wleft)) if D_row is None: D_row = s continue D_row = prettyForm(*D_row.right(' '*hsep)) D_row = prettyForm(*D_row.right(s)) if D is None: D = D_row continue for _ in range(vsep): D = prettyForm(*D.below(' ')) D = prettyForm(*D.below(D_row)) D = prettyForm(*D.parens(left='{', right='}')) return D def _latex(self, printer, *args): label = map(printer._print, (self.j1, self.j2, self.j12, self.j3, self.j, self.j23)) return r'\left\{\begin{array}{ccc} %s & %s & %s \\ %s & %s & %s \end{array}\right\}' % \ tuple(label) def doit(self, **hints): if self.is_symbolic: raise ValueError("Coefficients must be numerical") return wigner_6j(self.j1, self.j2, self.j12, self.j3, self.j, self.j23) class Wigner9j(Expr): """Class for the Wigner-9j symbols See Also ======== Wigner3j: Wigner-3j symbols """ def __new__(cls, j1, j2, j12, j3, j4, j34, j13, j24, j): args = map(sympify, (j1, j2, j12, j3, j4, j34, j13, j24, j)) return Expr.__new__(cls, *args) @property def j1(self): return self.args[0] @property def j2(self): return self.args[1] @property def j12(self): return self.args[2] @property def j3(self): return self.args[3] @property def j4(self): return self.args[4] @property def j34(self): return self.args[5] @property def j13(self): return self.args[6] @property def j24(self): return self.args[7] @property def j(self): return self.args[8] @property def is_symbolic(self): return not all(arg.is_number for arg in self.args) # This is modified from the _print_Matrix method def _pretty(self, printer, *args): m = ( (printer._print( self.j1), printer._print(self.j3), printer._print(self.j13)), (printer._print( self.j2), printer._print(self.j4), printer._print(self.j24)), (printer._print(self.j12), printer._print(self.j34), printer._print(self.j))) hsep = 2 vsep = 1 maxw = [-1]*3 for j in range(3): maxw[j] = max([ m[j][i].width() for i in range(3) ]) D = None for i in range(3): D_row = None for j in range(3): s = m[j][i] wdelta = maxw[j] - s.width() wleft = wdelta //2 wright = wdelta - wleft s = prettyForm(*s.right(' '*wright)) s = prettyForm(*s.left(' '*wleft)) if D_row is None: D_row = s continue D_row = prettyForm(*D_row.right(' '*hsep)) D_row = prettyForm(*D_row.right(s)) if D is None: D = D_row continue for _ in range(vsep): D = prettyForm(*D.below(' ')) D = prettyForm(*D.below(D_row)) D = prettyForm(*D.parens(left='{', right='}')) return D def _latex(self, printer, *args): label = map(printer._print, (self.j1, self.j2, self.j12, self.j3, self.j4, self.j34, self.j13, self.j24, self.j)) return r'\left\{\begin{array}{ccc} %s & %s & %s \\ %s & %s & %s \\ %s & %s & %s \end{array}\right\}' % \ tuple(label) def doit(self, **hints): if self.is_symbolic: raise ValueError("Coefficients must be numerical") return wigner_9j(self.j1, self.j2, self.j12, self.j3, self.j4, self.j34, self.j13, self.j24, self.j) def cg_simp(e): """Simplify and combine CG coefficients. Explanation =========== This function uses various symmetry and properties of sums and products of Clebsch-Gordan coefficients to simplify statements involving these terms [1]_. Examples ======== Simplify the sum over CG(a,alpha,0,0,a,alpha) for all alpha to 2*a+1 >>> from sympy.physics.quantum.cg import CG, cg_simp >>> a = CG(1,1,0,0,1,1) >>> b = CG(1,0,0,0,1,0) >>> c = CG(1,-1,0,0,1,-1) >>> cg_simp(a+b+c) 3 See Also ======== CG: Clebsh-Gordan coefficients References ========== .. [1] Varshalovich, D A, Quantum Theory of Angular Momentum. 1988. """ if isinstance(e, Add): return _cg_simp_add(e) elif isinstance(e, Sum): return _cg_simp_sum(e) elif isinstance(e, Mul): return Mul(*[cg_simp(arg) for arg in e.args]) elif isinstance(e, Pow): return Pow(cg_simp(e.base), e.exp) else: return e def _cg_simp_add(e): #TODO: Improve simplification method """Takes a sum of terms involving Clebsch-Gordan coefficients and simplifies the terms. Explanation =========== First, we create two lists, cg_part, which is all the terms involving CG coefficients, and other_part, which is all other terms. The cg_part list is then passed to the simplification methods, which return the new cg_part and any additional terms that are added to other_part """ cg_part = [] other_part = [] e = expand(e) for arg in e.args: if arg.has(CG): if isinstance(arg, Sum): other_part.append(_cg_simp_sum(arg)) elif isinstance(arg, Mul): terms = 1 for term in arg.args: if isinstance(term, Sum): terms *= _cg_simp_sum(term) else: terms *= term if terms.has(CG): cg_part.append(terms) else: other_part.append(terms) else: cg_part.append(arg) else: other_part.append(arg) cg_part, other = _check_varsh_871_1(cg_part) other_part.append(other) cg_part, other = _check_varsh_871_2(cg_part) other_part.append(other) cg_part, other = _check_varsh_872_9(cg_part) other_part.append(other) return Add(*cg_part) + Add(*other_part) def _check_varsh_871_1(term_list): # Sum( CG(a,alpha,b,0,a,alpha), (alpha, -a, a)) == KroneckerDelta(b,0) a, alpha, b, lt = map(Wild, ('a', 'alpha', 'b', 'lt')) expr = lt*CG(a, alpha, b, 0, a, alpha) simp = (2*a + 1)*KroneckerDelta(b, 0) sign = lt/abs(lt) build_expr = 2*a + 1 index_expr = a + alpha return _check_cg_simp(expr, simp, sign, lt, term_list, (a, alpha, b, lt), (a, b), build_expr, index_expr) def _check_varsh_871_2(term_list): # Sum((-1)**(a-alpha)*CG(a,alpha,a,-alpha,c,0),(alpha,-a,a)) a, alpha, c, lt = map(Wild, ('a', 'alpha', 'c', 'lt')) expr = lt*CG(a, alpha, a, -alpha, c, 0) simp = sqrt(2*a + 1)*KroneckerDelta(c, 0) sign = (-1)**(a - alpha)*lt/abs(lt) build_expr = 2*a + 1 index_expr = a + alpha return _check_cg_simp(expr, simp, sign, lt, term_list, (a, alpha, c, lt), (a, c), build_expr, index_expr) def _check_varsh_872_9(term_list): # Sum( CG(a,alpha,b,beta,c,gamma)*CG(a,alpha',b,beta',c,gamma), (gamma, -c, c), (c, abs(a-b), a+b)) a, alpha, alphap, b, beta, betap, c, gamma, lt = map(Wild, ( 'a', 'alpha', 'alphap', 'b', 'beta', 'betap', 'c', 'gamma', 'lt')) # Case alpha==alphap, beta==betap # For numerical alpha,beta expr = lt*CG(a, alpha, b, beta, c, gamma)**2 simp = 1 sign = lt/abs(lt) x = abs(a - b) y = abs(alpha + beta) build_expr = a + b + 1 - Piecewise((x, x > y), (0, Eq(x, y)), (y, y > x)) index_expr = a + b - c term_list, other1 = _check_cg_simp(expr, simp, sign, lt, term_list, (a, alpha, b, beta, c, gamma, lt), (a, alpha, b, beta), build_expr, index_expr) # For symbolic alpha,beta x = abs(a - b) y = a + b build_expr = (y + 1 - x)*(x + y + 1) index_expr = (c - x)*(x + c) + c + gamma term_list, other2 = _check_cg_simp(expr, simp, sign, lt, term_list, (a, alpha, b, beta, c, gamma, lt), (a, alpha, b, beta), build_expr, index_expr) # Case alpha!=alphap or beta!=betap # Note: this only works with leading term of 1, pattern matching is unable to match when there is a Wild leading term # For numerical alpha,alphap,beta,betap expr = CG(a, alpha, b, beta, c, gamma)*CG(a, alphap, b, betap, c, gamma) simp = KroneckerDelta(alpha, alphap)*KroneckerDelta(beta, betap) sign = sympify(1) x = abs(a - b) y = abs(alpha + beta) build_expr = a + b + 1 - Piecewise((x, x > y), (0, Eq(x, y)), (y, y > x)) index_expr = a + b - c term_list, other3 = _check_cg_simp(expr, simp, sign, sympify(1), term_list, (a, alpha, alphap, b, beta, betap, c, gamma), (a, alpha, alphap, b, beta, betap), build_expr, index_expr) # For symbolic alpha,alphap,beta,betap x = abs(a - b) y = a + b build_expr = (y + 1 - x)*(x + y + 1) index_expr = (c - x)*(x + c) + c + gamma term_list, other4 = _check_cg_simp(expr, simp, sign, sympify(1), term_list, (a, alpha, alphap, b, beta, betap, c, gamma), (a, alpha, alphap, b, beta, betap), build_expr, index_expr) return term_list, other1 + other2 + other4 def _check_cg_simp(expr, simp, sign, lt, term_list, variables, dep_variables, build_index_expr, index_expr): """ Checks for simplifications that can be made, returning a tuple of the simplified list of terms and any terms generated by simplification. Parameters ========== expr: expression The expression with Wild terms that will be matched to the terms in the sum simp: expression The expression with Wild terms that is substituted in place of the CG terms in the case of simplification sign: expression The expression with Wild terms denoting the sign that is on expr that must match lt: expression The expression with Wild terms that gives the leading term of the matched expr term_list: list A list of all of the terms is the sum to be simplified variables: list A list of all the variables that appears in expr dep_variables: list A list of the variables that must match for all the terms in the sum, i.e. the dependent variables build_index_expr: expression Expression with Wild terms giving the number of elements in cg_index index_expr: expression Expression with Wild terms giving the index terms have when storing them to cg_index """ other_part = 0 i = 0 while i < len(term_list): sub_1 = _check_cg(term_list[i], expr, len(variables)) if sub_1 is None: i += 1 continue if not sympify(build_index_expr.subs(sub_1)).is_number: i += 1 continue sub_dep = [(x, sub_1[x]) for x in dep_variables] cg_index = [None]*build_index_expr.subs(sub_1) for j in range(i, len(term_list)): sub_2 = _check_cg(term_list[j], expr.subs(sub_dep), len(variables) - len(dep_variables), sign=(sign.subs(sub_1), sign.subs(sub_dep))) if sub_2 is None: continue if not sympify(index_expr.subs(sub_dep).subs(sub_2)).is_number: continue cg_index[index_expr.subs(sub_dep).subs(sub_2)] = j, expr.subs(lt, 1).subs(sub_dep).subs(sub_2), lt.subs(sub_2), sign.subs(sub_dep).subs(sub_2) if not any(i is None for i in cg_index): min_lt = min(*[ abs(term[2]) for term in cg_index ]) indices = [ term[0] for term in cg_index] indices.sort() indices.reverse() [ term_list.pop(j) for j in indices ] for term in cg_index: if abs(term[2]) > min_lt: term_list.append( (term[2] - min_lt*term[3])*term[1] ) other_part += min_lt*(sign*simp).subs(sub_1) else: i += 1 return term_list, other_part def _check_cg(cg_term, expr, length, sign=None): """Checks whether a term matches the given expression""" # TODO: Check for symmetries matches = cg_term.match(expr) if matches is None: return if sign is not None: if not isinstance(sign, tuple): raise TypeError('sign must be a tuple') if not sign[0] == (sign[1]).subs(matches): return if len(matches) == length: return matches def _cg_simp_sum(e): e = _check_varsh_sum_871_1(e) e = _check_varsh_sum_871_2(e) e = _check_varsh_sum_872_4(e) return e def _check_varsh_sum_871_1(e): a = Wild('a') alpha = symbols('alpha') b = Wild('b') match = e.match(Sum(CG(a, alpha, b, 0, a, alpha), (alpha, -a, a))) if match is not None and len(match) == 2: return ((2*a + 1)*KroneckerDelta(b, 0)).subs(match) return e def _check_varsh_sum_871_2(e): a = Wild('a') alpha = symbols('alpha') c = Wild('c') match = e.match( Sum((-1)**(a - alpha)*CG(a, alpha, a, -alpha, c, 0), (alpha, -a, a))) if match is not None and len(match) == 2: return (sqrt(2*a + 1)*KroneckerDelta(c, 0)).subs(match) return e def _check_varsh_sum_872_4(e): alpha = symbols('alpha') beta = symbols('beta') a = Wild('a') b = Wild('b') c = Wild('c') cp = Wild('cp') gamma = Wild('gamma') gammap = Wild('gammap') cg1 = CG(a, alpha, b, beta, c, gamma) cg2 = CG(a, alpha, b, beta, cp, gammap) match1 = e.match(Sum(cg1*cg2, (alpha, -a, a), (beta, -b, b))) if match1 is not None and len(match1) == 6: return (KroneckerDelta(c, cp)*KroneckerDelta(gamma, gammap)).subs(match1) match2 = e.match(Sum(cg1**2, (alpha, -a, a), (beta, -b, b))) if match2 is not None and len(match2) == 4: return S.One return e def _cg_list(term): if isinstance(term, CG): return (term,), 1, 1 cg = [] coeff = 1 if not isinstance(term, (Mul, Pow)): raise NotImplementedError('term must be CG, Add, Mul or Pow') if isinstance(term, Pow) and sympify(term.exp).is_number: if sympify(term.exp).is_number: [ cg.append(term.base) for _ in range(term.exp) ] else: return (term,), 1, 1 if isinstance(term, Mul): for arg in term.args: if isinstance(arg, CG): cg.append(arg) else: coeff *= arg return cg, coeff, coeff/abs(coeff)