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Hey
I am trying to evaluate d/dx, d/dy and d/dz of a wavefunction defined on a grid. I have the wavefunction defined on equally spaced points along three axes a=x+y-z, b=x-y+z and c=-x+y+z. I can therefore construct the derivative matrices d/da, d/db and d/dc using finite differences but I don't know how to convert these to d/dx, d/dy and d/dz.
I have been trying to use some sort of chain rule
d/dx=d/da*da/dx+d/db*db/dx+d/dc*dc/dx ... but I do not know how to express da/dx, db/dx and dc/dx using matrices.
Any help would be greatly appreciated
Thanks
I am trying to evaluate d/dx, d/dy and d/dz of a wavefunction defined on a grid. I have the wavefunction defined on equally spaced points along three axes a=x+y-z, b=x-y+z and c=-x+y+z. I can therefore construct the derivative matrices d/da, d/db and d/dc using finite differences but I don't know how to convert these to d/dx, d/dy and d/dz.
I have been trying to use some sort of chain rule
d/dx=d/da*da/dx+d/db*db/dx+d/dc*dc/dx ... but I do not know how to express da/dx, db/dx and dc/dx using matrices.
Any help would be greatly appreciated
Thanks