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Search Publications by: Allan H. Harvey (Fed)

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Displaying 1 - 25 of 134

Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

October 10, 2024
Author(s)
Giovanni Garberoglio, Allan H. Harvey, Jakub Lang, Michal Przybytek, Michal Lesiuk, Bogumil Jeziorski
We develop a surface for the electric dipole moment of three interacting helium atoms and use it, together with state-of-the-art potential and polarizability surfaces, to compute the third dielectric virial coefficient, Cε, for both 4He and 3He isotopes

Index of Refraction of Liquid Water

May 1, 2024
Author(s)
Allan H. Harvey
This is an item for the CRC Handbook of Chemistry and Physics (105th ed.), giving values calculated from the IAPWS formulation for the refractive index.

Comprehensive Quantum Calculation of the First Dielectric Virial Coefficient of Water

January 12, 2024
Author(s)
Giovanni Garberoglio, Chiara Lissoni, Luca Spagnoli, Allan H. Harvey
We present a complete calculation, fully accounting for quantum effects and for molecular flexibility, of the first dielectric virial coefficient of water and its isotopologues. The contribution of the electronic polarizability is computed from a state-of

Small Corrections to 1989 NIST Constant-Volume Gas Thermometry Data

November 17, 2023
Author(s)
Allan H. Harvey
Constant-volume gas thermometry data published in 1989 for the difference between the thermodynamic temperature and the International Practical Temperature Scale of 1968 are corrected in two ways. A refined estimate of the thermal expansivity of the

Ab initio Calculation of Fluid Properties for Precision Metrology

September 12, 2023
Author(s)
Giovanni Garberoglio, Christof Gaiser, Roberto Maria Gavioso, Allan H. Harvey, Robert Hellmann, Bogumil Jeziorski, Karsten Meier, Michael R. Moldover, Laurent Pitre, Krzysztof Szalewicz, Robin Underwood
Recent advances regarding the interplay between ab initio calculations and metrology are reviewed, with particular emphasis on gas-based techniques used for temperature and pressure measurements. Since roughly 2010, several thermophysical quantities – in

An Equation of State for the Thermodynamic Properties of Helium

August 10, 2023
Author(s)
Diego Ortiz Vega, Kenneth Hall, James Holste, Allan H. Harvey, Eric W. Lemmon
This report documents the equation of state for fluid helium implemented in Version 10 of NIST's REFPROP Standard Reference Database. The equation of state is expressed as the molar Helmholtz energy as a function of temperature and density, and is valid

Entropy Scaling of Viscosity for Molecular Models of Molten Salts

January 9, 2023
Author(s)
Jeffrey Young, Ian Bell, Allan H. Harvey
Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to be a function of only the residual entropy. Molecular simulations are used to investigate the entropy scaling of the viscosity of three models of sodium chloride and

Path-integral calculation of the third dielectric virial coefficient of noble gases

December 15, 2021
Author(s)
Giovanni Garberoglio, Allan H. Harvey, Bogumil Jeziorski
We present a rigorous framework for fully quantum calculation of the third dielectric virial coefficient C_eps(T) of noble gases, including exchange effects. The quantum efects are taken into account with the path-integral Monte Carlo method. Calculations

Path-integral calculation of the fourth virial coefficient of helium isotopes

March 8, 2021
Author(s)
Giovanni Garberoglio, Allan H. Harvey
We use the path-integral Monte Carlo (PIMC) method and state-of-the-art two-body and three-body potentials to calculate the fourth virial coefficient D(T) of 4He and 3He as a function of temperature from 2.6 K to 2000 K. We derive expressions for the

Fifty Years of Reference Data

January 25, 2021
Author(s)
Allan Harvey, Donald Burgess
(Editorial introducing Volume 50 of the Journal of Physical and Chemical Reference Data)

Reappraising the appropriate use of a common meteorological quantity: Potential Temperature

December 15, 2020
Author(s)
Manuel Baumgartner, Ralf Weigel, Ulrich Achatz, Allan H. Harvey, Peter Spichtinger
The potential temperature is a widely used quantity in atmospheric science since it is conserved for air's adiabatic changes of state. Its definition involves the specific heat capacity of dry air, which is traditionally assumed as constant. However, the