Matlab-4.氢原子轨道轮廓图
采用Matlab绘制氢原子3dz2轨道轮廓图。
figure('numbertitle','off','name','Orbital profile of H atom')
x=-20:0.1:20;
z=-20:0.1:20;
[X,Z]=meshgrid(x,z); %生成采样点矩阵
A=(2.*Z.^2-X.^2)./81./sqrt(6*pi)./exp(sqrt(X.^2+Z.^2)./3);
subplot(1,2,1);
[C,h]=contour(X,Z,A,6);
clabel(C,'manual');
xlabel('x')
ylabel('z')
title('2D profile of 3d_{z^{2}} orbit');
grid on;
x=-25:0.5:25;
y=x;
z=x;
[X,Y,Z]=meshgrid(x,y,z);
V=(2.*Z.^2-X.^2-Y.^2)./81./sqrt(6)./exp(sqrt(X.^2+Y.^2+Z.^2)./3);
subplot(1,2,2)
patch(isosurface(X,Y,Z,V,0.005),'FaceColor','r','EdgeColor','none'); %提取V=0.005的等值面，并设置填充面颜色
hold on
patch(isosurface(X,Y,Z,V,-0.005),'FaceColor','c','EdgeColor','none'); %%提取V=-0.005的等值面，并设置填充面颜色
xlabel('x')
ylabel('y')
zlabel('z')
title('3D profile of 3d_{z^{2}} orbit')
view(3)
camlight
lighting gouraud
grid on
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