Scattering resonances in slow NH3-He collisions

The Journal of Chemical Physics
Koos B GubbelsAd van der Avoird

Abstract

We theoretically study slow collisions of NH(3) molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state integral and differential cross sections for collision energies ranging from 10(-4) cm(-1) to 130 cm(-1), using fully converged quantum close-coupling calculations. To describe the interaction between the NH(3) molecules and the He atoms, we present a four-dimensional potential energy surface, based on an accurate fit of 4180 ab initio points. Prior to collision, we consider the ammonia molecules to be in their antisymmetric umbrella state with angular momentum j = 1 and projection k = 1, which is a suitable state for Stark deceleration. We find pronounced shape and Feshbach resonances, especially for inelastic collisions into the symmetric umbrella state with j = k = 1. We analyze the observed resonant structures in detail by looking at scattering wavefunctions, phase shifts, and lifetimes. Finally, we discuss the prospects for observing the predicted scattering resonances in future crossed molecular beam experiments with a Stark-decelerated NH(3) beam.

References

Sep 16, 2000·Physical Review Letters·R T SkodjeK Liu
Mar 11, 2006·Science·Minghui QiuDong H Zhang
Jun 10, 2006·Physical Chemistry Chemical Physics : PCCP·Cynthia E HeinerGerard Meijer
Dec 18, 2007·The Journal of Chemical Physics·Thomas B AdlerHans-Joachim Werner
Dec 6, 2008·Science·L Fallani, M Inguscio
Dec 10, 2008·The Journal of Chemical Physics·Xinchuan HuangTimothy J Lee
Oct 17, 2009·Gut·G BoumaT J Stoof
Jul 27, 2010·Physical Chemistry Chemical Physics : PCCP·Ludwig ScharfenbergSebastiaan Y T van de Meerakker
Mar 15, 2011·Physical Chemistry Chemical Physics : PCCP·Ludwig ScharfenbergGerard Meijer

❮ Previous
Next ❯

Citations

Jul 19, 2012·The Journal of Chemical Physics·Yu V SuleimanovR V Krems
Jun 24, 2014·The Journal of Chemical Physics·Yulia N KaluginaMajdi Hochlaf
Dec 17, 2014·The Journal of Chemical Physics·J LoreauA van der Avoird
Nov 17, 2014·The Journal of Chemical Physics·H Massó, L Wiesenfeld
Aug 4, 2015·The Journal of Chemical Physics·Qianli MaPaul J Dagdigian
Mar 25, 2015·Nature Chemistry·Astrid BergeatMichel Costes
Mar 23, 2015·The Journal of Chemical Physics·L A SurinA van der Avoird
Jun 17, 2016·The Journal of Chemical Physics·Justin JankunasAndreas Osterwalder
Nov 17, 2015·The Journal of Chemical Physics·J Loreau, A van der Avoird
Feb 6, 2017·The Journal of Chemical Physics·Maximilian J DoppelbauerBrianna R Heazlewood
Jan 17, 2019·Physical Chemistry Chemical Physics : PCCP·Zhi GaoSebastiaan Y T van de Meerakker
Oct 3, 2013·Physical Chemistry Chemical Physics : PCCP·Ondřej TkáčAndrew J Orr-Ewing
May 28, 2020·Physical Chemistry Chemical Physics : PCCP·Attila G CsászárAd van der Avoird
Jul 28, 2020·Physical Chemistry Chemical Physics : PCCP·M Ben KhalifaL Wiesenfeld
Jun 27, 2014·Physical Chemistry Chemical Physics : PCCP·Jolijn OnvleeSebastiaan Y T van de Meerakker
Jun 24, 2020·The Journal of Chemical Physics·Leonid A SurinAd van der Avoird
Jul 30, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Jolijn OnvleeSebastiaan Y T van de Meerakker
Sep 10, 2016·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Krzysztof JachymskiAndreas Osterwalder
Sep 7, 2018·The Review of Scientific Instruments·Prateek PuriEric R Hudson
Oct 4, 2012·Physical Review Letters·Simon ChefdevilleMichel Costes
Dec 24, 2014·The Journal of Physical Chemistry. a·Ondřej TkáčAndrew J Orr-Ewing

❮ Previous
Next ❯

Software Mentioned

MOLSCAT
MOLPRO

Related Concepts

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.