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@ayu988
ayu988 authored Nov 21, 2022
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51 changes: 51 additions & 0 deletions anharmon.sce
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h=197.3;m=940;k=100
rmin=0.01;rmax=10;n = 1000
b = 20
r = linspace(rmin,rmax,n)
d = r(2)-r(1)
V = zeros(n,n)
for i=1:n
V(i,i)= (1/2)*(k*r(i)^2)+(1/3)*(b*r(i)^3)
end
K = eye(n,n)*(-2)
for i=1:(n-1)
K(i,i+1) = 1
K(i+1,i) = 1
end
H = (-(h^2)/(2*m*d^2))*K+V
[U,EV]=spec(H)
R1 = U(:,1)./r'
R2 = U(:,2)./r'
E=diag(EV)
format(6)
disp("Ground state energy---> "+string(E(1))+"Mev","1st excited state energy---> "+string(E(2))+"Mev")
//xset("font size",2)
subplot(2,2,1)
title("Wave function Plot")
plot(r',[U(:,1),U(:,2)],"linewidth",3)
legend("Ground state","1st Excited State",4)
xlabel("r-->","fontsize",3)
ylabel("U-->","fontsize",3)
xgrid
subplot(2,2,2)
title("Probabilty Density Plot")
plot(r',[U(:,1)^2,U(:,2)^2],"linewidth",3)
legend("Ground state","1st Excited State",)
xlabel("r-->","fontsize",3)
ylabel("U^2-->","fontsize",3)
xgrid
subplot(2,2,3)
//xset("font size",2)
title("Radial Wave Function")
plot(r',[abs(R1),abs(R2)],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)-->","fontsize",3)
xgrid
subplot(2,2,4)
title("Radial Probability Density")
plot(r',[abs(R1)^2,abs(R2)^2],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)^2-->","fontsize",3)
xgrid
50 changes: 50 additions & 0 deletions colomb.sce
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h=1973;m=0.511e6;e=3.795
rmin=0.01;rmax=10;n = 1000
r = linspace(rmin,rmax,n)
d = r(2)-r(1)
V = zeros(n,n)
for i=1:n
V(i,i) = (-(e^2)/r(i))
end
K = eye(n,n)*(-2)
for i=1:(n-1)
K(i,i+1) = 1
K(i+1,i) = 1
end
H = (-(h^2)/(2*m*d^2))*K+V
[U,EV]=spec(H)
R1 = U(:,1)./r'
R2 = U(:,2)./r'
E=diag(EV)
format(6)
disp("Ground state energy---> "+string(E(1))+"ev","1st excited state energy---> "+string(E(2))+"ev")
//xset("font size",2)
subplot(2,2,1)
title("Wave function Plot")
plot(r',[U(:,1),U(:,2)],"linewidth",3)
legend("Ground state","1st Excited State",4)
xlabel("r-->","fontsize",3)
ylabel("U-->","fontsize",3)
xgrid
subplot(2,2,2)
title("Probabilty Density Plot")
plot(r',[U(:,1)^2,U(:,2)^2],"linewidth",3)
legend("Ground state","1st Excited State",)
xlabel("r-->","fontsize",3)
ylabel("U^2-->","fontsize",3)
xgrid
subplot(2,2,3)
//xset("font size",2)
title("Radial Wave Function")
plot(r',[abs(R1),abs(R2)],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)-->","fontsize",3)
xgrid
subplot(2,2,4)
title("Radial Probability Density")
plot(r',[abs(R1)^2,abs(R2)^2],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)^2-->","fontsize",3)
xgrid
51 changes: 51 additions & 0 deletions morse.sce
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h=1973;m=940e6;D=0.7555;a=1.44;ro=0.1313
rmin=0.01;rmax=10;n = 1000
r = linspace(rmin,rmax,n)
d = r(2)-r(1)
V = zeros(n,n)
for i=1:n
rp = (r(i)-ro)/r(i)
V(i,i)= D*(exp(-2*a*rp)-exp(-a*rp))
end
K = eye(n,n)*(-2)
for i=1:(n-1)
K(i,i+1) = 1
K(i+1,i) = 1
end
H = (-(h^2)/(2*m*d^2))*K+V
[U,EV]=spec(H)
R1 = U(:,1)./r'
R2 = U(:,2)./r'
E=diag(EV)
format(6)
disp("Ground state energy---> "+string(E(1))+"Mev","1st excited state energy---> "+string(E(2))+"Mev")
//xset("font size",2)
subplot(2,2,1)
title("Wave function Plot")
plot(r',[U(:,1),U(:,2)],"linewidth",3)
legend("Ground state","1st Excited State",4)
xlabel("r-->","fontsize",3)
ylabel("U-->","fontsize",3)
xgrid
subplot(2,2,2)
title("Probabilty Density Plot")
plot(r',[U(:,1)^2,U(:,2)^2],"linewidth",3)
legend("Ground state","1st Excited State",)
xlabel("r-->","fontsize",3)
ylabel("U^2-->","fontsize",3)
xgrid
subplot(2,2,3)
//xset("font size",2)
title("Radial Wave Function")
plot(r',[abs(R1),abs(R2)],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)-->","fontsize",3)
xgrid
subplot(2,2,4)
title("Radial Probability Density")
plot(r',[abs(R1)^2,abs(R2)^2],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)^2-->","fontsize",3)
xgrid
51 changes: 51 additions & 0 deletions screen.sce
Original file line number Diff line number Diff line change
@@ -0,0 +1,51 @@
h=1973;m=0.511e6;e=3.795
rmin=0.01;rmax=10;n = 1000
a = 7
r = linspace(rmin,rmax,n)
d = r(2)-r(1)
V = zeros(n,n)
for i=1:n
V(i,i)=(-(e^2)/r(i))*exp(-r(i)/a)
end
K = eye(n,n)*(-2)
for i=1:(n-1)
K(i,i+1) = 1
K(i+1,i) = 1
end
H = (-(h^2)/(2*m*d^2))*K+V
[U,EV]=spec(H)
R1 = U(:,1)./r'
R2 = U(:,2)./r'
E=diag(EV)
format(6)
disp("Ground state energy---> "+string(E(1))+"ev","1st excited state energy---> "+string(E(2))+"ev")
//xset("font size",2)
subplot(2,2,1)
title("Wave function Plot")
plot(r',[U(:,1),U(:,2)],"linewidth",3)
legend("Ground state","1st Excited State",4)
xlabel("r-->","fontsize",3)
ylabel("U-->","fontsize",3)
xgrid
subplot(2,2,2)
title("Probabilty Density Plot")
plot(r',[U(:,1)^2,U(:,2)^2],"linewidth",3)
legend("Ground state","1st Excited State",)
xlabel("r-->","fontsize",3)
ylabel("U^2-->","fontsize",3)
xgrid
subplot(2,2,3)
//xset("font size",2)
title("Radial Wave Function")
plot(r',[abs(R1),abs(R2)],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)-->","fontsize",3)
xgrid
subplot(2,2,4)
title("Radial Probability Density")
plot(r',[abs(R1)^2,abs(R2)^2],"linewidth",1.5)
legend("Ground state","1st Excited State")
xlabel("r-->","fontsize",3)
ylabel("R(r)^2-->","fontsize",3)
xgrid

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