def test_additionWF(self):
n1, l1 = 1, 5
n2, l2 = 2, 3
dr = 0.001
r = np.arange(dr, 6 + dr, dr)
f1 = self._phiWF(n1, l1, r) / np.exp(0.5 * r**2)
f2 = self._phiWF(n2, l2, r) / np.exp(0.5 * r**2)
f1f2 = f1 * f2
Integrals_ = _RadialTwoBodyDecoupled()
aux = 0.0 * r
print("\nSeries of B(n{} l{},n{} l{}, p)::".format(n1, l1, n2, l2))
for p in range(0, n1 + n2 + 1):
Bp = Integrals_._B_coeff(n1, l1, n2, l2, p)
print(" B(nl(1){},{} nl(2){},{}, p{})={}".format(
n1, l1, n2, l2, p, Bp))
aux += Bp * (r**(2 * p + l1 + l2))
aux /= np.exp(r**2)
import matplotlib.pyplot as plt
plt.plot(r, f1, 'r--', label='f1({})'.format((n1, l1)))
plt.plot(r, f2, 'b--', label='f2({})'.format((n2, l2)))
plt.plot(r, f1f2, label='Analytical f1*f2')
plt.plot(r, aux, label='f1*f2 from sum')
plt.title("Checking the product of two radial wave functions [{}, {}]".
format(shellSHO_Notation(n1, l1), shellSHO_Notation(n2, l2)))
plt.xlabel("r")
plt.legend()
plt.show()
diff = sum((aux - f1f2)) * dr
self.assertAlmostEqual(diff, 0.0, msg="Not equal", delta=1e-8)
def valenceSpaceShellNames(valence_space, l_ge_10=False):
"""
Join the SHO major shells defining the valence space (without sense care).
Arg:
:valence_space Quantum numbers array (Antoine format)
:l_ge_10 <bool> [default=False] format for l>10.
"""
_space = []
states_accepted = 0
for shell, qqnn_shell in valenceSpacesDict_l_ge10.items():
aux = [(sp, shellSHO_Notation(*readAntoine(sp, True)))
for sp in qqnn_shell]
aux = [(sho_st, sp in valence_space) for sp, sho_st in aux]
aux = dict(aux)
if not False in aux.values():
_space.append(shell)
states_accepted += len(aux)
elif True in aux.values():
aux = dict(filter(lambda x: x[1], aux.items())).keys()
_space.append('({}: {})'.format(shell, list(aux)))
states_accepted += len(aux)
if states_accepted == len(valence_space):
break
return list(set(_space))
def shellState(self):
return shellSHO_Notation(self.n, self.l)
dr = 0.001
b_length = 1.2
N_min = 6
N_max = 7
NZ_states = getStatesAndOccupationUpToLastOccupied(N_max, N_min)
NZ_states = getStatesAndOccupationOfFullNucleus(N_min + 2, N_max, N_min)
A = 0
A_prev = max(1, 2*N_min + 1)
Z = 0
r = np.arange(0, 6, dr)
rOb = r / b_length
for spss, z, n in NZ_states:
spss = shellSHO_Notation(*spss)
Z += z
A = A_prev + z + n
for a_ in range(A_prev, A + 1):
#A += 2*a
aux = _RadialDensityDependentFermi()
den = aux._FermiDensity(a_, rOb, z)
# den = aux._auxFunction(rOb, 6, A, 1/3)
den /= np.exp(rOb**2)
# den /= np.exp((7/3) * rOb**2)
print(a_,'(', spss, ') integral=',
b_length**(-3) * sum(den* np.power(r, 2))*dr)
## 4pi factor cancels with the normalization of the density
## but _FermiDensity dont have factor 1/(4pi * b^3)