Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2020-06-28 21:44:37

mbergami
Member
Registered: 2020-01-12
Posts: 9

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

Offline

Board footer

Powered by FluxBB