2024-03-28T08:58:01Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1526802018-09-20T13:37:07Zcom_10261_14181com_10261_4col_10261_14184
He Clusters Doped with Metastable Anions He*- and He2*-
Villarreal, Pablo
Rodríguez-Cantano, Rocío
González-Lezana, Tomás
Prosmiti, Rita
Delgado Barrio, Gerardo
Gianturco, Franco A.
Conferencia invitada ; Mendoza, Argentina. 9th-13st of May 2016 ; http://photodynamics9.wixsite.com/phd9
Variational calculations (T=0 K) on small HeN...He*- and HeN...He2*- metastable
clusters (N¿9), as well as Path Integral Monte Carlo simulations (T=0.4 K) on larger
species have been performed assuming additive parwise-like potential surfaces. The
underlying He(1S)-He*-(4P) potential curve and the He(1S)-He2*-(4¿g) anisotropic
interaction have been recently estimated through accurate CCSD(T) calculations[1],
while the He-He interaction is described by an Aziz-Slaman semiempirical potential[2].
Large anharmonic effects are envisaged for the atomic anion case, where the interaction
with helium presents a deep well near 1 Å followed by a small barrier and then a
shallow minimum, see left panel in Figure 1. Accordingly, as He atoms are added, a
marked preference to form a bi-pyramid charged core He7-, with the rest of He atoms
surrounding it, is observed (right panel in that figure). In turn, the molecular anion
He2*-, considered as a rigid rotor, tends to point towards a set of packed helium atoms
which are placed at long distance from the anion.
Peer Reviewed
2017-07-12T11:06:26Z
2017-07-12T11:06:26Z
2016-05-12
2017-07-12T11:06:26Z
comunicación de congreso
http://purl.org/coar/resource_type/c_5794
9th International Meeting on Photodynamics and related aspects
http://hdl.handle.net/10261/152680
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