From molecular electron density to electron momentum density

The scope of the quasiclassical procedure previously used by us for estimating atomic-electron momentum densities exclusively from the knowledge of electron densities has been extended to diatomic molecules. This procedure yields spherically averaged molecular-electron momentum density from which the corresponding Compton profile and

expectation values may be computed. The procedure has been tested for the molecules H2 and N2. The Compton profiles and

values thus obtained compare well with their wave-functions and experimental counterparts