Rotational excitations of N2O in small helium clusters and the role of Bose permutation symmetry

The Journal of Chemical Physics
F Paesani, K B Whaley

Abstract

We present a detailed study of the energetics, structures, and Bose properties of small clusters of (4)He containing a single nitrous oxide (N(2)O) molecule, from N=1 (4)He up to sizes corresponding to completion of the first solvation shell around N(2)O (N=16 (4)He). Ground state properties are calculated using the importance-sampled rigid-body diffusion Monte Carlo method, rotational excited state calculations are made with the projection operator imaginary time spectral evolution method, and Bose permutation exchange and associated superfluid properties are calculated with the finite temperature path integral method. For N< or =5 the helium atoms are seen to form an equatorial ring around the molecular axis, at N=6 helium density starts to occupy the second (local) minimum of the N(2)O-He interaction at the oxygen side of the molecule, and N=9 is the critical size at which there is onset of helium solvation all along the molecular axis. For N> or =8 six (4)He atoms are distributed in a symmetric, quasirigid ring around N(2)O. Path integral calculations show essentially complete superfluid response to rotation about the molecular axis for N> or =5, and a rise of the perpendicular superfluid response from zero to appreciable v...Continue Reading

References

May 1, 1993·Physical Review. a·R N Barnett, K B Whaley
Aug 1, 1995·Physical Review. B, Condensed Matter·J Casulleras, J Boronat
Jan 27, 1986·Physical Review Letters·D M Ceperley, E L Pollock
Mar 14, 2003·Physical Review Letters·F PaesaniK B Whaley
Mar 14, 2003·Physical Review Letters·E W Draeger, D M Ceperley
May 7, 2003·Physical Review Letters·Saverio MoroniStefano Baroni
Nov 13, 2003·Physical Review Letters·Yunjie XuA R W McKellar
Aug 31, 2004·The Journal of Chemical Physics·F Paesani, K B Whaley

❮ Previous
Next ❯

Citations

Aug 27, 2005·The Journal of Chemical Physics·Wendy C Topic, Wolfgang Jäger
Jan 12, 2010·The Journal of Chemical Physics·Dmitry SkvortsovAndrey F Vilesov
Nov 14, 2012·The Journal of Chemical Physics·Steve P DempsterWolfgang Jäger
Aug 6, 2005·The Journal of Chemical Physics·Xiao-Gang WangA R W McKellar
May 28, 2005·The Journal of Chemical Physics·F PaesaniK B Whaley
Feb 8, 2013·The Journal of Chemical Physics·David MateoJ Peter Toennies
Feb 18, 2006·The Journal of Chemical Physics·William K Lewis, Roger E Miller
Jan 6, 2006·The Journal of Chemical Physics·R E ZillichK B Whaley
Feb 23, 2010·The Journal of Chemical Physics·Hiromichi HoshinaAndrey F Vilesov
Mar 4, 2006·The Journal of Chemical Physics·Yunjie XuPierre-Nicholas Roy
Aug 4, 2007·The Journal of Chemical Physics·A R W McKellar
Jun 10, 2010·The Journal of Chemical Physics·M Ovchinnikov, Alexey Novikov
Sep 24, 2005·The Journal of Chemical Physics·Piotr Jankowski, Krzysztof Szalewicz
Feb 5, 2013·The Journal of Physical Chemistry. a·Paul L RastonGary E Douberly
Mar 18, 2017·Physical Review Letters·Mikhail Lemeshko
Apr 19, 2013·Physical Chemistry Chemical Physics : PCCP·Néstor F AguirreMaría Pilar de Lara-Castells
Jun 9, 2020·The Journal of Chemical Physics·Fabien BrieucDominik Marx
Aug 11, 2005·Physical Review Letters·Hiromichi HoshinaAndrey F Vilesov
May 21, 2005·Physical Review Letters·F PaesaniK B Whaley
Jul 17, 2007·The Journal of Physical Chemistry. a·Robert E Zillich, K Birgitta Whaley
Jun 28, 2007·The Journal of Physical Chemistry. a·Francesco PaesaniRoger E Miller

❮ 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.