onsdag 10 augusti 2016

New Quantum Mechanics 15: Relation to "Atoms in Molecules"

Atoms in Molecules developed by Richard Bader is a charge density theory based on basins of attraction of atomic kernels with boundaries characterised by vanishing normal derivative of charge density.

This connects to the homogeneous Neumann boundary condition identifying separation between electrons of the new model under study in this sequence of posts.

Atoms in Molecules is focussed on the role of atomic kernels in molecules, while the new model primarily (so far) concerns electrons in atoms.

Inga kommentarer:

Skicka en kommentar