mhjensen
45 lines
1.2 KiB
Python
45 lines
1.2 KiB
Python
import scipy as scipy
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import scipy.special as special
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import numpy as np
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import itertools as it
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from pandas import *
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import matplotlib.pylab as plt
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from scipy.integrate import ode
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import time
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def unique_rows(a):
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a = np.ascontiguousarray(a)
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unique_a = np.unique(a.view([('', a.dtype)]*a.shape[1]))
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return unique_a.view(a.dtype).reshape((unique_a.shape[0], a.shape[1]))
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def hamiltonian(n_pairs,n_basis,delta,g):
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"""
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n_pairs - Number of electron pairs
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n_basis - Number of spacial basis states
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Returns - The hamiltonian and the reference energy
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"""
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n_SD = int(special.binom(n_basis,n_pairs))
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H_mat = np.zeros((n_SD,n_SD))
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S = stateMatrix(n_pairs,n_basis)
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for row in range(n_SD):
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bra = S[row,:]
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for col in range(n_SD):
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ket = S[col,:]
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if np.sum(np.equal(bra,ket)) == bra.shape:
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H_mat[row,col] += 2*delta*np.sum(bra - 1) - 0.5*g*n_pairs
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if n_pairs - np.intersect1d(bra,ket).shape[0] == 1:
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H_mat[row,col] += -0.5*g
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return(H_mat,H_mat[0,0])
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def stateMatrix(n_pairs,n_basis):
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L = []
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states = range(1,n_basis+1)
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for perm in it.permutations(states,n_pairs):
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L.append(perm)
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L = np.array(L)
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L.sort(axis=1)
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L = unique_rows(L)
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return(L)
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