asked by Saverio Ricci (2020/04/16 03:33)
Dear all, I want to calculate the projection of whatever wavefunction to a specific target. For example: i have a system described by an hamiltonian and calculate the eigenstates. Than I want to project one of such states in real orbitals of d shell (like the d_xy or d_z^2). how is it possible to do it? I tried to create a specific d orbitals with the command NewWavefunction but it seems that this kind of orbital and those calculated as eigenstates are not compatible.
Thank you for the help