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Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach

Enrico Bodo
•
Emanuele Coccia
•
D. Lopez-Duran
•
Francesco Antonio Gianturco
2007
  • journal article

Periodico
PHYSICA SCRIPTA
Abstract
We present here an implementation of a combined variational and diffusion Monte Carlo (VMC and DMC) procedure that we have recently successfully used in describing the `solvation' of molecular and atomic ions in small He clusters. We report the details of our numerical procedure which may use both pure Metropolis sampling and Biased (Langevin) sampling. We conclude by showing a series of test calculations we have performed both on atomic and molecular impurities.
DOI
10.1088/0031-8949/76/3/n16
WOS
WOS:000249100600026
Archivio
http://hdl.handle.net/11368/2938017
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-34548707968
http://www.scopus.com/inward/record.url?eid=2-s2.0-34548707968&partnerID=65&md5=68e6cc8598d558f8b3583d31a0630cfd
Diritti
metadata only access
Scopus© citazioni
21
Data di acquisizione
Jun 14, 2022
Vedi dettagli
Web of Science© citazioni
21
Data di acquisizione
Mar 23, 2024
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