Recently[1, 2], we have studied the role of electron correlation in model atoms at weak binding conditions, namely when the nuclear charge is close to the critical value at which the ionization potential goes to zero. Here, starting from the work of Amovilli and March[3] on homonuclear diatomic molecules with 13 and 14 electrons, we consider also N2 like molecular ions in similar critical conditions. In particular, we analyze a system of 14 electrons (isolelectronic with N2 ) and vary the internuclear distance together with the nuclear charge. We show data on relevant quantities at critical conditions calculated at Diffusion Monte Carlo level.

Critical conditions (zero ionization potential) in model N_2-like molecular ions

C. Amovilli
;
F. M. Floris
2018

Abstract

Recently[1, 2], we have studied the role of electron correlation in model atoms at weak binding conditions, namely when the nuclear charge is close to the critical value at which the ionization potential goes to zero. Here, starting from the work of Amovilli and March[3] on homonuclear diatomic molecules with 13 and 14 electrons, we consider also N2 like molecular ions in similar critical conditions. In particular, we analyze a system of 14 electrons (isolelectronic with N2 ) and vary the internuclear distance together with the nuclear charge. We show data on relevant quantities at critical conditions calculated at Diffusion Monte Carlo level.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/956855
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