I.P. Batra, P.S. Bagus, et al.
Theoretica Chimica Acta
The effect of the hydrogen bond interaction on the Compton profile for water is estimated by observing the consistent trend in the water polymer (monomer, dimer, trimer, tetramer and pentamer) profiles obtained from various quality wavefunctions. The profile of the isolated water molecule is found to be lowered by hydrogen bonding.
I.P. Batra, P.S. Bagus, et al.
Theoretica Chimica Acta
O. Matsuoka, E. Clementi, et al.
The Journal of Chemical Physics
G.C. Lie, E. Clementi
The Journal of Chemical Physics
E. Clementi, A. Veillard
The Journal of Chemical Physics