PMID: 11909036Mar 23, 2002Paper

Microscopic distribution functions, structure, and kinetic energy of liquid and solid neon: quantum Monte Carlo simulations

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Martin Neumann, Marco Zoppi

Abstract

We have performed extensive path integral Monte Carlo simulations of liquid and solid neon, in order to derive the kinetic energy as well as the single-particle and pair distribution functions of neon atoms in the condensed phases. From the single-particle distribution function n(r) one can derive the momentum distribution and thus obtain an independent estimate of the kinetic energy. The simulations have been carried out using mostly the semiempirical HFD-C2 pair potential by Aziz et al. [R. A. Aziz, W. J. Meath, and A. R. Allnatt, Chem. Phys. 79, 295 (1983)], but, in a few cases, we have also used the Lennard-Jones potential. The differences between the potentials, as measured by the properties investigated, are not very large, especially when compared with the actual precision of the experimental data. The simulation results have been compared with all the experimental information that is available from neutron scattering. The overall agreement with the experiments is very good.

References

Jun 1, 1985·Physical Review A: General Physics·F BarocchiM Zoppi
Mar 1, 1989·Physical Review. B, Condensed Matter·R N Silver
Nov 1, 1994·Physical Review. B, Condensed Matter·C AndreaniJ Mayers
Jan 1, 1995·Physical Review. B, Condensed Matter·R T AzuahS M Bennington
Nov 1, 1996·Physical Review. B, Condensed Matter·U BafileJ Mayers
Jan 1, 1990·Physical Review. B, Condensed Matter·K W HerwigR C Blasdell
Jun 1, 1990·Physical Review. B, Condensed Matter·T R SosnickP E Sokol
Jan 1, 1991·Physical Review. B, Condensed Matter·T R SosnickP E Sokol
May 1, 1992·Physical Review. B, Condensed Matter·D A PeekR O Simmons
May 1, 1992·Physical Review. B, Condensed Matter·D A PeekR O Simmons
Feb 1, 1992·Physical Review. B, Condensed Matter·A CuccoliR Vaia
Jan 1, 1993·Physical Review. B, Condensed Matter·H DonnerbergC R Catlow
May 1, 1994·Physical Review. B, Condensed Matter·M Asger, Q N Usmani
Jan 27, 1986·Physical Review Letters·D M Ceperley, E L Pollock
Feb 15, 1993·Physical Review Letters·F BarocchiM Tau
Sep 4, 1995·Physical Review Letters·U BafileJ Mayers
Aug 28, 1995·Physical Review Letters·M ZoppiM Neumann

❮ Previous
Next ❯

Citations

Oct 15, 2005·The Journal of Chemical Physics·Qian Wang, Millard H Alexander
Jan 28, 2006·The Journal of Chemical Physics·Qian Wang, Millard H Alexander
Nov 23, 2006·The Journal of Chemical Physics·Qian Wang, Sharon Hammes-Schiffer
Jul 12, 2012·The Journal of Chemical Physics·Jonas WiebkePeter Schwerdtfeger
May 9, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·C P Herrero, R Ramírez
Sep 21, 2002·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·M CelliM Zoppi

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.