Unexpected symmetry in the nodal structure of the He atom.
The nodes of even simple wave functions are largely unexplored. Motivated by their importance to quantum simulations of fermionic systems, we have found unexpected symmetries in the nodes of several atoms and molecules. Here, we report on helium. We find that in both ground and excited states the nodes have simple forms. In particular, they have higher symmetry than the wave functions they come from. It is of great interest to understand the source of these new symmetries. For the quantum simulations that motivated the study, these symmetries may help circumvent the fermion sign problem.
Bressanini
Dario
D
Dipartimento di Scienze Chimiche e Ambientali, Universita' dell'Insubria, via Lucini 3, 22100 Como, Italy. Dario.Bressanini@uninsubria.it
Reynolds
Peter J
PJ