The energies at geometries close to the equilibrium for the e(+)LiF and e(+)BeO ground states were computed by means of diffusion Monte Carlo simulations. These results allow us to predict the equilibrium geometries and the vibrational frequencies for these exotic systems, and to discuss their stability with respect to the various dissociation channels. Since the adiabatic positron affinities were found to be smaller than the dissociation energies for both complexes, we propose these two molecules as possible candidates in the challenge to produce and detect stable positron-molecule systems. Moreover, low-energy positron scattering on LiF and BeO targets may show vibrational Feshbach resonances as fingerprints of the existence of stable ground states of e(+)LiF and e(+)BeO.

Stability and production of positron-diatomic molecule complexes

MELLA, MASSIMO;BRESSANINI, DARIO;MOROSI, GABRIELE
2001

Abstract

The energies at geometries close to the equilibrium for the e(+)LiF and e(+)BeO ground states were computed by means of diffusion Monte Carlo simulations. These results allow us to predict the equilibrium geometries and the vibrational frequencies for these exotic systems, and to discuss their stability with respect to the various dissociation channels. Since the adiabatic positron affinities were found to be smaller than the dissociation energies for both complexes, we propose these two molecules as possible candidates in the challenge to produce and detect stable positron-molecule systems. Moreover, low-energy positron scattering on LiF and BeO targets may show vibrational Feshbach resonances as fingerprints of the existence of stable ground states of e(+)LiF and e(+)BeO.
THE JOURNAL OF CHEMICAL PHYSICS
File in questo prodotto:
File Dimensione Formato  
2001-mella-jcp01.pdf

accesso aperto

Tipologia: Documento in Post-print
Licenza: DRM non definito
Dimensione 45.79 kB
Formato Adobe PDF
45.79 kB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11383/1486047
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 17
  • ???jsp.display-item.citation.isi??? 18
social impact