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H-Atom Ground & Excited States Analysis

The document outlines a Scilab program designed to solve the s-wave Schrödinger equation for the ground state and first excited state of the hydrogen atom under a screened Coulomb potential. It includes the construction of kinetic and potential energy matrices, computation of energy eigenvalues and eigenstates, and displays the results for different screening parameters. Additionally, it contains commented-out sections for plotting the eigenstates and radial wave functions.

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25 views2 pages

H-Atom Ground & Excited States Analysis

The document outlines a Scilab program designed to solve the s-wave Schrödinger equation for the ground state and first excited state of the hydrogen atom under a screened Coulomb potential. It includes the construction of kinetic and potential energy matrices, computation of energy eigenvalues and eigenstates, and displays the results for different screening parameters. Additionally, it contains commented-out sections for plotting the eigenstates and radial wave functions.

Uploaded by

pinubarik782
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

0001 //Aim: To solve s-wave Schrodinger equation for the ground

state and the first excited state of H-atom for the screened Coulomb
potential
0002 // Scilab P2
0003
0004 clc; clear; clf();
0005 hbarc = 1973; mcsq= 0.511*10^(6);e=3.795;
0006 r_min =0; r_max=9; N = 600, d = (r_max-r_min)/N;
0007 r=linspace(r_min,r_max,N+1);
0008 k = hbarc*hbarc/(2*mcsq*d*d);a1=3;a2=5;a3=7;
0009
0010 //Kinetic Energy Matrix (using finite difference method)
0011 for i =1:N-1
0012 T(i,i) = 2
0013 if i < N-1 then
0014 T(i,i+1) = -1
0015 T(i+1,i) = -1
0016 end
0017 end
0018
0019 // Kinetic Energy Matrix
0020
0021 T_matrix = k*T;
0022
0023 //Potential Energy Term
0024
0025 for i = 1:N-1
0026 ri = r_min+i*d
0027 V1_matrix (i,i) = -((e*e)/ri)*exp(-ri/a1)
0028 V2_matrix (i,i) = -((e*e)/ri)*exp(-ri/a2)
0029 V3_matrix (i,i) = -((e*e)/ri)*exp(-ri/a3)
0030 end
0031
0032 H1 = T_matrix + V1_matrix;
0033 H2 = T_matrix + V2_matrix;
0034 H3 = T_matrix + V3_matrix;
0035
0036 // Energy eigen value and eigen states
0037 [u1,eigen1] = spec(H1);
0038 [u2,eigen2] = spec(H2);
0039 [u3,eigen3] = spec(H3);
0040 E1=diag(eigen1);
0041 E2=diag(eigen2);
0042 E3=diag(eigen3);
0043 format(6);
0044
0045 // Displaying ground state and first excited energy
0046 disp ("Ground state energies for a1=3A, a2=5A, and a3=7A
are "+string(E1(1)),string(E2(1)),"and" +string(E3(1))+ "eV
respectively")
0047 disp ("First excited state energies for a1=3A, a2=5A, and
a3=7A are "+string(E1(2)),string(E2(2)),"and" +string(E3(2))+ "eV
respectively")
0048
0049 //For a1=3A
0050 //disp("Ground state",u1(:,1))
0051 //disp("First Excited state",u1(:,2))
0052
0053 //For a2=5A
0054 //disp("Ground state",u2(:,1))
0055 //disp("First Excited state",u2(:,2))
0056
0057 //For a3=7A
0058 //disp("Ground state",u3(:,1))
0059 //disp("First Excited state",u3(:,2))
0060
0061 // Plot of eigen states for a1=3A
0062 //plot(r,[0;(u1(:,1));0]);
0063 //plot(r,[0;(u1(:,2));0]);
0064
0065 // Plot of eigen states for a2=5A
0066 //plot(r,[0;(u2(:,1));0]);
0067 //plot(r,[0;(u2(:,2));0]);
0068
0069 // Plot of eigen states for a3=7A
0070 //plot(r,[0;(u3(:,1));0]);
0071 //plot(r,[0;(u3(:,2));0]);
0072
0073 //Plot of Radial wave function for a1=3A
0074 R_a1_1 = [0;u1(:,1);0]./r'; plot(r,(R_a1_1));
0075
0076 //Plot of Radial wave functionfor a2=5A
0077 //R_a2_1 = [0;u2(:,1);0]./r'; plot(r,(R_a2_1));
0078
0079 //Plot of Radial wave functionfor a3=7A
0080 //R_a3_1 = [0;u3(:,1);0]./r'; plot(r,(R_a3_1));

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