| Literature DB >> 26049484 |
Pierre-François Loos1, Dario Bressanini2.
Abstract
The aim of this paper is to shed light on the topology and properties of the nodes (i.e., the zeros of the wave function) in electronic systems. Using the "electrons on a sphere" model, we study the nodes of two-, three-, and four-electron systems in various ferromagnetic configurations (sp, p(2), sd, pd, p(3), sp(2), and sp(3)). In some particular cases (sp, p(2), sd, pd, and p(3)), we rigorously prove that the non-interacting wave function has the same nodes as the exact (yet unknown) wave function. The number of atomic and molecular systems for which the exact nodes are known analytically is very limited and we show here that this peculiar feature can be attributed to interdimensional degeneracies. Although we have not been able to prove it rigorously, we conjecture that the nodes of the non-interacting wave function for the sp(3) configuration are exact.Entities:
Year: 2015 PMID: 26049484 DOI: 10.1063/1.4922159
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488