Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

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Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters. / Elm, Jonas; Norman, Patrick; Bilde, Merete; Mikkelsen, Kurt Valentin.

I: Physical Chemistry Chemical Physics, Bind 16, Nr. 22, 2014, s. 10883-10890.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Elm, J, Norman, P, Bilde, M & Mikkelsen, KV 2014, 'Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters', Physical Chemistry Chemical Physics, bind 16, nr. 22, s. 10883-10890. https://doi.org/10.1039/c4cp01206b

APA

Elm, J., Norman, P., Bilde, M., & Mikkelsen, K. V. (2014). Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters. Physical Chemistry Chemical Physics, 16(22), 10883-10890. https://doi.org/10.1039/c4cp01206b

Vancouver

Elm J, Norman P, Bilde M, Mikkelsen KV. Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters. Physical Chemistry Chemical Physics. 2014;16(22):10883-10890. https://doi.org/10.1039/c4cp01206b

Author

Elm, Jonas ; Norman, Patrick ; Bilde, Merete ; Mikkelsen, Kurt Valentin. / Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters. I: Physical Chemistry Chemical Physics. 2014 ; Bind 16, Nr. 22. s. 10883-10890.

Bibtex

@article{fdb958e9799b4ae2bfc99405387a2702,
title = "Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters",
abstract = "The Rayleigh and hyper Rayleigh scattering properties of the binary (H 2SO4)(H2O)n and ternary (H 2SO4)(NH3)(H2O)n clusters are investigated using a quantum mechanical response theory approach. The molecular Rayleigh scattering intensities are expressed using the dipole polarizability α and hyperpolarizability β tensors. Using density functional theory, we elucidate the effect of cluster morphology on the scattering properties using a combinatorial sampling approach. We find that the Rayleigh scattering intensity depends quadratically on the number of water molecules in the cluster and that a single ammonia molecule is able to induce a high anisotropy, which further increases the scattering intensity. The hyper Rayleigh scattering activities are found to be extremely low. This study presents the first attempt to map the scattering of atmospheric molecular clusters using a bottom-up approach. This journal is",
author = "Jonas Elm and Patrick Norman and Merete Bilde and Mikkelsen, {Kurt Valentin}",
year = "2014",
doi = "10.1039/c4cp01206b",
language = "English",
volume = "16",
pages = "10883--10890",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "22",

}

RIS

TY - JOUR

T1 - Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

AU - Elm, Jonas

AU - Norman, Patrick

AU - Bilde, Merete

AU - Mikkelsen, Kurt Valentin

PY - 2014

Y1 - 2014

N2 - The Rayleigh and hyper Rayleigh scattering properties of the binary (H 2SO4)(H2O)n and ternary (H 2SO4)(NH3)(H2O)n clusters are investigated using a quantum mechanical response theory approach. The molecular Rayleigh scattering intensities are expressed using the dipole polarizability α and hyperpolarizability β tensors. Using density functional theory, we elucidate the effect of cluster morphology on the scattering properties using a combinatorial sampling approach. We find that the Rayleigh scattering intensity depends quadratically on the number of water molecules in the cluster and that a single ammonia molecule is able to induce a high anisotropy, which further increases the scattering intensity. The hyper Rayleigh scattering activities are found to be extremely low. This study presents the first attempt to map the scattering of atmospheric molecular clusters using a bottom-up approach. This journal is

AB - The Rayleigh and hyper Rayleigh scattering properties of the binary (H 2SO4)(H2O)n and ternary (H 2SO4)(NH3)(H2O)n clusters are investigated using a quantum mechanical response theory approach. The molecular Rayleigh scattering intensities are expressed using the dipole polarizability α and hyperpolarizability β tensors. Using density functional theory, we elucidate the effect of cluster morphology on the scattering properties using a combinatorial sampling approach. We find that the Rayleigh scattering intensity depends quadratically on the number of water molecules in the cluster and that a single ammonia molecule is able to induce a high anisotropy, which further increases the scattering intensity. The hyper Rayleigh scattering activities are found to be extremely low. This study presents the first attempt to map the scattering of atmospheric molecular clusters using a bottom-up approach. This journal is

U2 - 10.1039/c4cp01206b

DO - 10.1039/c4cp01206b

M3 - Journal article

C2 - 24763512

AN - SCOPUS:84900825721

VL - 16

SP - 10883

EP - 10890

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 22

ER -

ID: 131129392