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Numpy and Scipy

Lecture 2 covers the use of NumPy and SciPy for quantum physics applications, including installation, basic operations with arrays and matrices, and statistical analysis. It also introduces data handling, integration, solving equations, and matrix operations relevant to quantum mechanics. The lecture is part of a broader course on Quantum Physics with Python.

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0 views18 pages

Numpy and Scipy

Lecture 2 covers the use of NumPy and SciPy for quantum physics applications, including installation, basic operations with arrays and matrices, and statistical analysis. It also introduces data handling, integration, solving equations, and matrix operations relevant to quantum mechanics. The lecture is part of a broader course on Quantum Physics with Python.

Uploaded by

sriletsoin03
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Lecture 2: NumPy and SciPy

Hendrik Weimer

Institute for Theoretical Physics, Leibniz University Hannover

Quantum Physics with Python, 18 April 2016


Outline of the course

1. Introduction to Python
2. SciPy/NumPy packages
3. Plotting and fitting
4. QuTiP: states and operators
5. Ground state problems
6. Non-equilibrium dynamics: quantum quenches
7. Quantum master equations
8. Generation of squeezed states
9. Quantum computing
10. Grover’s algorithm and quantum machine learning
11. Student presentations

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Installing NumPy and SciPy

I Using your package manager


apt-get install python3-scipy
I Using pip
pip install scipy
I Build from source code
https://www.scipy.org/

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Python lists versus vectors

a = [1, 0]
b = [0, 1]
print(a+b)

Output:

[1, 0, 0, 1]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


NumPy to the rescue

import numpy as np

a = np.array([1, 0])
b = np.array([0, 1])
print(a+b)

Output:

[1 1]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Matrices

Matrices are two-dimensional arrays

A = np.array([[1, 2, 3],
[4, 5, 6],
[7, 8, 9]])
print(A[0,0])
print(A[:,0])
print(A.trace())

Output:

1
[1 4 7]
15

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Matrix multiplication

A = np.array([[1, 2, 3],
[4, 5, 6],
[7, 8, 9]])
print(A*A)
print(A.matmul(A)) # Python 3.6: A @ A

Output:

[[ 1 4 9]
[16 25 36]
[49 64 81]]
[[ 30 36 42]
[ 66 81 96]
[102 126 150]]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Array ranges

for x in np.arange(0,1,0.2):
print(x)

print()
print(np.arange(4,4.4,0.1))

Output:

0.0
0.2
0.4
0.6
0.8

[ 4. 4.1 4.2 4.3 4.4]

Use numpy.linspace to have explicit control over endpoints!

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Simple statistics

from random import random

a = [random() for x in range(4)]


print(a)
print(np.mean(a), np.std(a))

Output:

[0.6624686402055188, 0.17648996819820462, 0.22978963184239998,


0.9815287045139853]
0.51256923619 0.32988876658

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Reading data files

data = np.loadtxt("data.txt")

Better control over header/footer, missing values, etc.: use


numpy.genfromtxt

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Example: GISS Surface Temperature data

I Land-ocean temperature index


[J. Hansen et al., Rev. Geophys. 48, RG4004 (2010)]
I Data going back to 1880
I Zero base point: 30 year average from 1951 to 1980
http://data.giss.nasa.gov/gistemp/graphs_v3/Fig.A2.txt

Global Land-Ocean Temperature Index (C) (Anomaly with Base: 1951-1980)


------------------------------------------------------------------------
Year Annual_Mean 5-year_Mean
----------------------------------
1880 -0.20 *
1881 -0.11 *
1882 -0.09 -0.17
1883 -0.20 -0.19

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Overview of SciPy

16 sub-packages, including:
I Integration
I Interpolation
I Linear algebra
I Optimization
I Special functions

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Integration

Stefan-Boltzmann law:
(kB T )4
P/A = σ
h3 c2
Z∞
x3
σ = 2π dx
ex − 1
0

from math import pi, exp


from scipy import integrate

I = integrate.quadrature(lambda x: x^3/(exp(x)-1), 0,
float(’inf’))

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Reduce upper limit

I Python can represent only numbers up to ∼ 10308


I exp(710) > 10308
I However: x3 /(ex − 1) ∼ 10−296 for x = 700

I = integrate.quadrature(lambda x: x^3/(exp(x)-1), 0, 700)


sigma = 2*pi*I[0]
print(I)
print(sigma, sigma-2*pi**5/15)

Output:

(6.49393940226683, 1.877560045914113e-11)
40.80262463803753 7.105427357601002e-15

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Solving linear equations

from scipy import linalg


A = np.array([[3, 2, 0], [1, -1, 0], [0, 5, 1]])
b = np.array([2, 4, -1])
print(linalg.solve(A, b))

Output:

[ 2. -2. 9.]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Solving nonlinear equations

Eigenvalue equation for the finite potential well (symmetric solutions)


q
V02 − ν 2 = ν tan ν

from scipy import optimize


from math import sqrt, tan
V_0 = 5
f = lambda nu: sqrt(V_0**2-nu**2) - nu*tan(nu)
print(optimize.fsolve(f,1))
print(optimize.fsolve(f,4))

Output:

[ 1.30644001]
[ 3.83746711]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Matrix diagonalization

L_x = 1/sqrt(2)*np.array([[0, 1, 0], [1, 0, 1], [0, 1, 0]])


print(linalg.eigh(Lx))

Output:

(array([ -1.00000000e+00, 1.11022302e-15, 1.00000000e+00]),


array([[ -5.00000000e-01, 7.07106781e-01, 5.00000000e-01],
[ 7.07106781e-01, 6.66133815e-16, 7.07106781e-01],
[ -5.00000000e-01, -7.07106781e-01, 5.00000000e-01]]))

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy


Matrix exponentiation

sigma_x = np.array([[0, 1], [1, 0]])


print(linalg.expm(1j*pi/4*sigma_x))

Output:

[[ 0.70710678+0.j 0.00000000+0.70710678j]
[ 0.00000000+0.70710678j 0.70710678+0.j ]]

Hendrik Weimer (Leibniz University Hannover) Lecture 2: NumPy and SciPy

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