Structure and Energetics of Helium Adsorption on Nanosurfaces: Proceedings of the Symposium on Quantum Fluids and Solids, QFS2003
Authors: Huang P.1; Whitley H.D.1; Whaley K.B.1
Source: Journal of Low Temperature Physics, Volume 134, Numbers 1-2, January 2004 , pp. 263-268(6)
Publisher: Springer
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Abstract:
The ground and excited state properties of small helium clusters, 4HeN, containing nanoscale (
3–10 Å) planar aromatic molecules have been studied with quantum Monte Carlo methods. Ground state structures and energies are obtained from importance-sampled, rigid-body diffusion Monte Carlo. Excited state energies due to helium vibrational motion are evaluated using the projection operator, imaginary time spectral evolution technique. We examine the adsorption of N helium atoms (N
24) on a series of planar aromatic molecules (benzene, naphthalene, anthracene, tetracene, phthalocyanine). The first layer of helium atoms is well-localized on the molecule surface, and we find well-defined localized excitations due to in-plane vibrational motion of helium on the molecule surface. We discuss the implications of these confined excitations for the molecule spectroscopy.
Document Type: Research article
DOI: 10.1023/B:JOLT.0000012565.54363.64
Affiliations: 1: Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, CA 94720, USA
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