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Exp CCL2

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xyz294480
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9 views5 pages

Exp CCL2

Python code

Uploaded by

xyz294480
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Experiment 2

Hydrogen atom
Name: Vedika (696)

import numpy as np

import matplotlib.pyplot as plt

from scipy.linalg import eig,eigh

import pandas as pd

#coulamb potential

def H_atom_coulomb_potential(l,N):

x = np.linspace(10**-10,l,N)

n = len(x)

h = x[1]-x[0]

V = np.diag(-1/x)

D = -1/(2*h**2)*(np.diag(np.ones(n-1),1)+np.diag(np.ones(n-1),-1)+np.diag(-2*np.ones(n)))

H = D+V

evalue,evector = eigh(H)

return x,evalue*27.22,evector

x,ev,evec = H_atom_coulomb_potential(40,200)

for i in range(1,4):

print(f"The energy eigen value for n = {i} is {ev[i]}")

plt.figure(figsize=(8,5))

for i in range(1,5):

plt.subplot(2,2,i)

plt.plot(x,evec[:,i],label=f"n={i}")

plt.xlabel("x(a0)")

plt.ylabel(r"$\psi(x)$"

plt.grid()

plt.legend()

plt.suptitle("Wave function for different n")


plt.tight_layout()

OUTPUT:

The energy eigen value for n = 1 is -13.475237635509727

The energy eigen value for n = 2 is -3.3939511641549958

The energy eigen value for n = 3 is -1.5104957635260499

plt.figure(figsize=(8,5))

for i in range(1,5):

plt.subplot(2,2,i)

plt.plot(x,evec[:,i]**2,label=f"n={i}")

plt.xlabel("x(a0)")

plt.ylabel(r"$\psi(x)^2$")

plt.grid()

plt.legend()

plt.suptitle("Probability density for different n")

plt.tight_layout()
YUKAWA POTENTIAL

def H_atom_yukawa_potential(l,N,a):

x = np.linspace(10**-10,l,N)

n = len(x)

h = x[1]-x[0]

V = np.diag(-np.exp(-x/a)/x)

D = -1/(2*h**2)*(np.diag(np.ones(n-1),1)+np.diag(np.ones(n-1),-1)+np.diag(-2*np.ones(n)))

H = D+V

evalue,evector = eigh(H)

return x,evalue*27.22,evector

a1 = np.array([3,5,7])

a = a1/0.529

evv = []

n = np.array([1,2,3])

for i in range(3):

x, evalue, evector = H_atom_yukawa_potential(30,1000,a[i])

evv.append(evalue[1:4])

dictio = {"n":n,"a=3":evv[0],"a=5":evv[1],"a=7":evv[2]}

df = pd.DataFrame(dictio)

df = df.to_string(index=False)

print(df)
OUTPUT:

n a=3 a=5 a=7

1 -9.381083 -10.941449 -11.661147

2 -0.500372 -1.275352 -1.748101

3 0.257992 0.002825 -0.222768

plt.figure(figsize=(12,5))

for i in range(3):

x, evalue, evector = H_atom_yukawa_potential(10,1000,a[i])

plt.subplot(1,3,i+1)

plt.plot(x,evector[:,1],label = f"n={1}")

plt.plot(x,evector[:,2],label = f"n={2}")

plt.plot(x,evector[:,3],label = f"n={3}")

plt.legend()

plt.xlabel("r(a0)")

plt.ylabel(r"$\psi(x)$")

plt.title(f"a={np.round(a[i]*0.529,2)}")

plt.grid()

plt.figure(figsize=(15,6))

plt.suptitle("Wave function for Yukawa potential")

plt.tight_layout()
plt.figure(figsize=(12,5))

for i in range(3):

x, evalue, evector = H_atom_yukawa_potential(10,1000,a[i])

plt.subplot(1,3,i+1)

plt.plot(x,evector[:,1]**2,label = f"n={1}")

plt.plot(x,evector[:,2]**2,label = f"n={2}")

plt.plot(x,evector[:,3]**2,label = f"n={3}")

plt.legend()

plt.xlabel("r(a0)")

plt.ylabel(r"$\psi(x)^2$")

plt.title(f"a={np.round(a[i]*0.529,2)}")

plt.grid()

plt.suptitle("Probability density for Yukawa potential")

plt.tight_layout()

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