Potential energy surfaces of the low-lying electronic states of the Li + LiCs system

Potential energy surfaces of the low-lying electronic states of the Li + LiCs system Chemical Physics Letters 695 (2018) 119–124 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Potential energy surfaces of the low-lying electronic states of the Li + LiCs system a,⇑ a b a, P. Jasik , T. Kilich , J. Kozicki , J.E. Sienkiewicz Faculty of Applied Physics and Mathematics, Gdan ´sk University of Technology, Gdan ´sk, Poland Faculty of Civil and Environmental Engineering, Gdan ´sk University of Technology, Gdan ´sk, Poland article i nfo abstract Article history: Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global Received 16 November 2017 minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer In final form 1 February 2018 potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these Available online 3 February 2018 states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces of the Li Cs molecule in the global minimum are investigated. Dimer- Keywords: atom interactions are found to be strongly attractive and may be important in the experiments, particu- Potential energy surfaces larly involving cold alkali polar http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemical Physics Letters Elsevier

Potential energy surfaces of the low-lying electronic states of the Li + LiCs system

Loading next page...
 
/lp/elsevier/potential-energy-surfaces-of-the-low-lying-electronic-states-of-the-li-4RNu7iiBN8
Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0009-2614
eISSN
1873-4448
D.O.I.
10.1016/j.cplett.2018.02.005
Publisher site
See Article on Publisher Site

Abstract

Chemical Physics Letters 695 (2018) 119–124 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Potential energy surfaces of the low-lying electronic states of the Li + LiCs system a,⇑ a b a, P. Jasik , T. Kilich , J. Kozicki , J.E. Sienkiewicz Faculty of Applied Physics and Mathematics, Gdan ´sk University of Technology, Gdan ´sk, Poland Faculty of Civil and Environmental Engineering, Gdan ´sk University of Technology, Gdan ´sk, Poland article i nfo abstract Article history: Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global Received 16 November 2017 minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer In final form 1 February 2018 potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these Available online 3 February 2018 states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces of the Li Cs molecule in the global minimum are investigated. Dimer- Keywords: atom interactions are found to be strongly attractive and may be important in the experiments, particu- Potential energy surfaces larly involving cold alkali polar

Journal

Chemical Physics LettersElsevier

Published: Mar 1, 2018

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 12 million articles from more than
10,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Unlimited reading

Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.

Stay up to date

Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.

Organize your research

It’s easy to organize your research with our built-in tools.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve Freelancer

DeepDyve Pro

Price
FREE
$49/month

$360/year
Save searches from
Google Scholar,
PubMed
Create lists to
organize your research
Export lists, citations
Read DeepDyve articles
Abstract access only
Unlimited access to over
18 million full-text articles
Print
20 pages/month
PDF Discount
20% off