View of Bond Formation in Terms of Electrons Momentum Distributions

摘要

Electron momentum density contour maps of molecular hydrogen (H sub 2 ) and helium (He sub 2 ) are determined from near-Hartree-Fock wavefunctions. Both the total momentum density and density difference (molecule-isolated atoms) maps present trends that may be related to the formation of a bound state (H sub 2 ) and an unbound state. (Atomindex citation 14:762653)