2020-09-23T13:13:26Z
http://digital.csic.es/dspace-oai/request
oai:digital.csic.es:10261/75412
2018-09-20T13:37:07Z
com_10261_14181
com_10261_4
col_10261_14182
Ground states of weakly bound three-atom systems: Energies and shapes of 4He2X clusters from Monte Carlo calculations
Paola, C. Di.
Gianturco, Franco Antonio
Paesani, F.
Delgado Barrio, Gerardo
Miret-Artés, Salvador
Villarreal, Pablo
Baccarelli, Isabella
González-Lezana, Tomás
The interactions between alkali atoms and 4He, as well as those between H- and 4He, are known to be even weaker than those between two helium atoms. In this work we show that when the three-particle potential energy surface is obtained as a sum of two-body functions, the ensuing ground state configurations are indeed very weakly bound and acquire spatial shapes difficult to describe in simple configurational terms. We have employed the quantum diffusion Monte Carlo method to analyse the He2Li, He2Na and He2H- systems, for which possible molecular 'shapes' are extracted from the final DMC distributions by defining within them conventional chemical structures with varying degree of 'stiffness' attached to the nuclear positions.
2013-04-30T12:18:45Z
2013-04-30T12:18:45Z
2002
2013-04-30T12:18:45Z
artículo
Journal of Physics B: Atomic, Molecular and Optical Physics 35: 2643- 2660 (2002)
http://hdl.handle.net/10261/75412
10.1088/0953-4075/35/12/302
eng
closedAccess
Institute of Physics Publishing