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 (sim3–10 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 (Nle24) 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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