Multiwfn forum

mbergami

Member

Registered: 2020-01-12

Posts: 10

Fourier transform of molecular orbitals

Hi all,

Does anyone know how to computationally calculate the Fourier transform of the product of two molecular orbitals? I have molecular orbitals at position space obtained from quantum calculations, and I need the Fourier transform of product of orbitals.

Thanks,

Mateus