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  1. Pubblicazioni

Nodal surfaces and interdimensional degeneracies

Articolo
Data di Pubblicazione:
2015
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, p2, sd, pd, p3, sp2, and sp3). In some particular cases (sp, p2, sd, pd, and p3), 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 sp3 configuration are exact.
Tipologia CRIS:
Articolo su Rivista
Keywords:
Physics and Astronomy (all); Physical and Theoretical Chemistry
Elenco autori:
Loos, Pierre François; Bressanini, Dario
Autori di Ateneo:
BRESSANINI DARIO
Link alla scheda completa:
https://irinsubria.uninsubria.it/handle/11383/2023021
Pubblicato in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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URL

http://scitation.aip.org/content/aip/journal/jcp
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