Hi
Is there a way to get vibrational Hamiltonian using Psi4.
Thank you.
Not out-of-the-box.
If you had a program that could construct such a thing from energies/gradients/hessians, then we could talk.
Hi
Is there a way to get vibrational Hamiltonian using Psi4.
Thank you.
Not out-of-the-box.
If you had a program that could construct such a thing from energies/gradients/hessians, then we could talk.