from __future__ import division
import scipy as sp
from nhqm.bases import mom_space as mom
from nhqm.problems import He5
from nhqm.bases.contours import gauss_contour
from nhqm.QM_helpers import energies, absq
from numpy.linalg import norm
from collections import namedtuple
import matplotlib.pyplot as plt
problem = He5
k_max = 3
order = 100
std = 26
contour = gauss_contour((0, k_max), order)
ks, _ = contour
QNums = namedtuple("qnums", "l j k")
Q = QNums(l=1, j=1.5, k=ks)
problem.V0 = -70
H = mom.hamiltonian(contour, problem, Q)
eigvals_1, eigvecs_1 = energies(H)
# problem.V0=-60
# H = mom.hamiltonian(contour, problem, Q)
# eigvals_2, eigvecs_2 = energies(H)
problem.V0 = -52
H = mom.hamiltonian(contour, problem, Q)
from numpy.linalg import norm
from collections import namedtuple
import matplotlib.pyplot as plt
plot = False
problem = He5
k_max = 3
order = 100
num_wfs = 10
QNums = namedtuple('qnums', 'l j')
Q = QNums(l=1, j=1.5)
problem.V0=-50
contour = gauss_contour((0, 0.2 -0.2j, k_max), [order/2,order/2])
points, weights = contour
H = mom.hamiltonian(contour, problem, Q)
eigvals_real, eigvecs_real = energies(H)
contour = gauss_contour((0, k_max), order)
points, weights = contour
H = mom.hamiltonian(contour, problem, Q)
eigvals_comp, eigvecs_comp = energies(H)
rmax = 100
r_order = 500
r = sp.linspace(1e-1, rmax, r_order)
gaussian.V0 = -1140
gaussian.r0 = 1
SDI.V0 = 2800
SDI.r0 = 2
peak_x = 0.2
peak_y = 0.1
k_max = 2.5
complex_contour = True
J = 2
js = [1.5]
if complex_contour:
contour = triangle_contour_explicit(peak_x, peak_y, k_max,
points_on_triangle, basis_size - points_on_triangle)
else:
contour = gauss_contour([0, k_max], basis_size)
points, _ = contour
print mb_scheme.name, sp_basis.name
print "\tBasis size:", basis_size
if sp_basis == mom:
print "\t",("Complex contour" if complex_contour else "Real contour")
print "\t\tk_max:", k_max
print two_body.name, "interaction"
print "\tV0:", two_body.V0
print "\tr0:", two_body.r0
# Construct sp states.
spQ = namedtuple('qnums', 'l j')
SP = namedtuple('sp', "id l j E eigvec contour basis")
peak_x = 0.2
peak_y = 0.2
sierp_x = 0.17
sierp_y = -0.1j
sierpa = 0.5*sierp_x
sierpb = 2*sierp_y
sierpc = 0.99*sierp_x + 2*sierp_y
sierpd = 0.51*sierp_x + sierp_y
sierpe = 1.49*sierp_x + sierp_y
sierpf = 1.01*sierp_x + 2*sierp_y
sierpg = 2*sierp_x + 2*sierp_y
sierph = 1.5*sierp_x
sierpinski = gauss_contour([0, sierpa, sierpb, sierpg, sierph, k_max], [ 9,19,39,19, 200])
contours = [triangle_contour(peak_x, peak_y, k_max, order/3), gauss_contour([0, 0 -peak_y*1j, 2*peak_x -peak_y*1j, 2*peak_x, k_max], [order/4,order/4,order/4,order/4])]
V0 = -47
k_res = []
for m, contour in enumerate(contours):
problem.V0=V0
k_res.append(sp.empty(len(contour[0]), 'complex'))
QNums = namedtuple('qnums', 'l j k')
Q = QNums(l=1, j=1.5, k=len(contour[0]))
H = mom.hamiltonian(contour, problem, Q)
eigvals, eigvecs = energies(H)
print res_index(eigvecs)
def un_weight(eigvec):
eigvec_prim = eigvec / sp.sqrt(weights)
return eigvec_prim / norm(eigvec_prim)
def un_point(eigvec):
eigvec_prim = eigvec / points
return eigvec_prim / norm(eigvec_prim)
def un_symm(eigvec):
eigvec_prim = eigvec / sp.sqrt(weights) / points
return eigvec_prim / norm(eigvec_prim)
contours = [gauss_contour((0, 0.2 -0.2j, 0.4, k_max), [order/6, order/6, order*2/3]), \
gauss_contour((0, k_max), order)]
data = []
for j,contour in enumerate(contours):
points, weights = contour
momenta = sp.real(points)
H = mom.hamiltonian(contour, problem, Q)
eigvals, eigvecs = energies(H)
result = [momenta]
print "res:", res_index(eigvecs), "beware of off-by-one"
for i in xrange(num_wfs):
from __future__ import division
import scipy as sp
from nhqm.bases import mom_space as mom
from nhqm.problems import He5
from nhqm.bases.contours import gauss_contour
from nhqm.QM_helpers import energies, absq
from numpy.linalg import norm
from collections import namedtuple
import matplotlib.pyplot as plt
problem = He5
order=15
contour = gauss_contour((0, 0.2 -0.1j,0.4, 2.5), [order/3,order/3,order/3])
momenta, _ = contour
QNums = namedtuple('qnums', 'l j k')
Q = QNums(l=1, j=1.5, k=momenta)
problem.V0 = -47
H = mom.hamiltonian(contour, problem, Q)
eigvals, eigvecs = energies(H)
def momentum_res(energy):
return sp.sqrt(2 * problem.mass * energy)
rmax = 100
r_order = 200
r = sp.linspace(1e-1, rmax, r_order)
def sqrd_wf(eigvec):
