Van der Waals forces between nanoclusters: Importance of many-body effects

Hye Young Kim; Jorge O. Sofo; Darrell Velegol; Milton W. Cole; Amand A. Lucas

doi:10.1063/1.2170091

Van der Waals forces between nanoclusters: Importance of many-body effects

Hye Young Kim, Jorge O. Sofo, Darrell Velegol, Milton W. Cole, Amand A. Lucas

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66 Scopus citations

Abstract

Van der Waals interactions between nanoclusters have been calculated with a self-consistent, coupled dipole method. The method accounts for all many-body (MB) effects. Comparison is made between the exact potential energy, V, and the values obtained with two alternative methods: the sum of two-body interactions and the sum of two-body and three-body interactions. For all cases considered, the three-body term alone does not accurately represent the MB contributions to V. MB contributions are especially large for shape-anisotropic clusters.

Original language	English (US)
Article number	074504
Journal	Journal of Chemical Physics
Volume	124
Issue number	7
DOIs	https://doi.org/10.1063/1.2170091
State	Published - 2006

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2170091

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title = "Van der Waals forces between nanoclusters: Importance of many-body effects",

abstract = "Van der Waals interactions between nanoclusters have been calculated with a self-consistent, coupled dipole method. The method accounts for all many-body (MB) effects. Comparison is made between the exact potential energy, V, and the values obtained with two alternative methods: the sum of two-body interactions and the sum of two-body and three-body interactions. For all cases considered, the three-body term alone does not accurately represent the MB contributions to V. MB contributions are especially large for shape-anisotropic clusters.",

author = "Kim, {Hye Young} and Sofo, {Jorge O.} and Darrell Velegol and Cole, {Milton W.} and Lucas, {Amand A.}",

note = "Funding Information: We are grateful to Craig Bohren, Roman Schmied, and Jerry Mahan for helpful discussions. We thank the National Science Foundation (NER CTS-0403646) and Ben Franklin Technology Partners for support. ",

year = "2006",

doi = "10.1063/1.2170091",

language = "English (US)",

volume = "124",

journal = "Journal of Chemical Physics",

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T1 - Van der Waals forces between nanoclusters

T2 - Importance of many-body effects

AU - Kim, Hye Young

AU - Sofo, Jorge O.

AU - Velegol, Darrell

AU - Cole, Milton W.

AU - Lucas, Amand A.

N1 - Funding Information: We are grateful to Craig Bohren, Roman Schmied, and Jerry Mahan for helpful discussions. We thank the National Science Foundation (NER CTS-0403646) and Ben Franklin Technology Partners for support.

PY - 2006

Y1 - 2006

N2 - Van der Waals interactions between nanoclusters have been calculated with a self-consistent, coupled dipole method. The method accounts for all many-body (MB) effects. Comparison is made between the exact potential energy, V, and the values obtained with two alternative methods: the sum of two-body interactions and the sum of two-body and three-body interactions. For all cases considered, the three-body term alone does not accurately represent the MB contributions to V. MB contributions are especially large for shape-anisotropic clusters.

AB - Van der Waals interactions between nanoclusters have been calculated with a self-consistent, coupled dipole method. The method accounts for all many-body (MB) effects. Comparison is made between the exact potential energy, V, and the values obtained with two alternative methods: the sum of two-body interactions and the sum of two-body and three-body interactions. For all cases considered, the three-body term alone does not accurately represent the MB contributions to V. MB contributions are especially large for shape-anisotropic clusters.

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Van der Waals forces between nanoclusters: Importance of many-body effects

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