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About Robert Hinde
University of Tennessee, Knoxville
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Atomic, Molecular and Optical Physics
Biological and Chemical Physics
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Pairwise additive model for the He-MgO(100) interaction
Journal of Physical Chemistry A (2011)
B. A. Johnson and R. J. Hinde
We develop a model, based on pairwise additive He-Mg and He-O interactions, for the potential energy of He adsorbates above ...
QSATS: MPI-driven quantum simulations of atomic solids at zero temperature
Computer Physics Communications (2011)
R. J. Hinde
We describe QSATS, a parallel code for performing variational path integral simulations of the quantum mechanical ground state of monatomic ...
A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for
Computer Physics Communications (2009)
A. Gothandaraman, G. D. Peterson, G. L. Warren, R. J. Hinde, et al.
Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated ...
A six-dimensional H2–H2 potential energy surface for bound state ...
Journal of Chemical Physics (2008)
We present a six-dimensional potential energy surface for the (H2)2 dimer based on coupled-cluster electronic structure calculations employing large atom-centered ...
Direct observation of H2 binding to a metal oxide surface
Physical Review Letters (2008)
J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, et al.
Inelastic neutron scattering is used to probe the dynamical response of H2 films adsorbed on MgO(100) as a function of ...
FPGA acceleration of a quantum Monte Carlo application
Parallel Computing (2008)
Quantum Monte Carlo methods enable us to determine the ground-state properties of atomic or molecular clusters. Here, we present a ...
Simulating CH4 physisorption on ionic crystals: Limitations of an atomic ...
European Physical Journal D (2008)
Philip Stimac and Robert Hinde
We use quantum chemical techniques to evaluate the electrostatic and polarization components of the interaction between a rigid CH4 molecule ...
Three-body interactions in solid parahydrogen
Chemical Physics Letters (2008)
We use coupled-cluster ab initio methods to evaluate the non-pairwise-additive interactions in clusters of three parahydrogen (pH2) molecules. For acute ...
Dependence of the H2–H2 interaction on the monomer bond ...
Few-Body Systems (2006)
We compute the vibrational coupling between two H2 molecules from ab initio quantum chemical calculations of the H2–H2 potential carried ...
Interaction-induced dipole moment of the Ar–H2 dimer: dependence on ...
Journal of Chemical Physics (2006)
Robert J. Hinde
We present ab initio calculations of the interaction-induced dipole moment of the Ar–H2 van der Waals dimer. The primary focus ...
Population size bias in descendant-weighted diffusion quantum Monte Carlo simulations
Physical Review E (2006)
G. Lee Warren and Robert Hinde
We consider the influence of population size on the accuracy of diffusion quantum Monte Carlo simulations that employ descendant weighting ...
Variational path integral simulations using discretized coordinates
Chemical Physics Letters (2006)
We describe a variational path integral simulation algorithm for quantum Monte Carlo studies of many-body systems in which particles are ...
Vibrational dependence of the H2–H2
Journal of Chemical Physics (2005)
We use the sum-over-states formalism to compute the imaginary-frequency dipole polarizabilities for H2, as a function of the H–H bond ...
Infrared-active vibron bands associated with substitutional impurities in solid parahydrogen
Journal of Chemical Physics (2003)
We present a model for the line shapes of infrared-active Q1(0) vibron bands observed in solid parahydrogen doped with low ...
Probing quantum solvation with infrared spectroscopy: Infrared activity induced in ...
Chemical Physics Letters (2002)
We present the first high-resolution study of the infrared (IR) absorption spectra of solid parahydrogen matrices containing low concentrations of ...
The He-LiH potential energy surface revisited. I. An interpolated rigid ...
Journal of Chemical Physics (1999)
We reconsider the potential energy surface of the He–LiH system recently examined by Gianturco and co-workers [F. A. Gianturco et ...