Characterization of ArnO- clusters from ab initio and diffusion Monte Carlo calculations

Jacek Jakowski; Grzegorz Chalasiński; Joseph Gallegos; Mark W. Severson; M. M. Szczȩsniak

doi:10.1063/1.1531110

Characterization of Ar_nO^- clusters from ab initio and diffusion Monte Carlo calculations

Jacek Jakowski, Grzegorz Chalasiński, Joseph Gallegos, Mark W. Severson, M. M. Szczȩsniak

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Abstract

Ar_nO^- clusters for n=1,...,13 were modeled in the framework of DMC from two- and three-body ab initio determined potentials. In modeling, a variety of nonadditive three-body potentials were tested for Ar₂O^-. For the trimer Ar₂O^-, the linear structure was obtained.

Original language	English
Pages (from-to)	2748-2759
Number of pages	12
Journal	Journal of Chemical Physics
Volume	118
Issue number	6
DOIs	https://doi.org/10.1063/1.1531110
State	Published - Feb 8 2003
Externally published	Yes

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title = "Characterization of ArnO- clusters from ab initio and diffusion Monte Carlo calculations",

abstract = "ArnO- clusters for n=1,...,13 were modeled in the framework of DMC from two- and three-body ab initio determined potentials. In modeling, a variety of nonadditive three-body potentials were tested for Ar2O-. For the trimer Ar2O-, the linear structure was obtained.",

author = "Jacek Jakowski and Grzegorz Chalasi{\'n}ski and Joseph Gallegos and Severson, {Mark W.} and Szczȩsniak, {M. M.}",

year = "2003",

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AU - Jakowski, Jacek

AU - Chalasiński, Grzegorz

AU - Gallegos, Joseph

AU - Severson, Mark W.

AU - Szczȩsniak, M. M.

PY - 2003/2/8

Y1 - 2003/2/8

N2 - ArnO- clusters for n=1,...,13 were modeled in the framework of DMC from two- and three-body ab initio determined potentials. In modeling, a variety of nonadditive three-body potentials were tested for Ar2O-. For the trimer Ar2O-, the linear structure was obtained.

AB - ArnO- clusters for n=1,...,13 were modeled in the framework of DMC from two- and three-body ab initio determined potentials. In modeling, a variety of nonadditive three-body potentials were tested for Ar2O-. For the trimer Ar2O-, the linear structure was obtained.

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U2 - 10.1063/1.1531110

DO - 10.1063/1.1531110

M3 - Article

AN - SCOPUS:0037425979

SN - 0021-9606

VL - 118

SP - 2748

EP - 2759

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 6

ER -

Characterization of Ar_nO^- clusters from ab initio and diffusion Monte Carlo calculations

Abstract

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