Search

Filter

  • Advanced Filters:

  • to

  • Specific Data Sources:

    All Edit

    Select All  |  Select None

Reset filters

Journals The Journal of Chemical Physics Volume 136 Issue 5

The multi-configuration electron-nuclear dynamics (MCEND) method is a nonadiabatic quantum dynamics approach to the description of molecular processes. MCEND is a combination of the multi-configuration time-dependent Hartree (MCTDH) method for atoms and its antisymmetrized equivalent MCTDHF for electrons. The purpose of this method is to simultaneously describe nuclear and electronic wave packets in a quantum dynamical way, without the need to calculate potential energy surfaces and diabatic coupling functions. In this paper we present first exemplary calculations of MCEND applied to the LiH molecule, and discuss computational and numerical details of our implementation.

End of preview. The entire article is 6 pages. To view the full-text, please rent this article to continue.

/lp/american-institute-of-physics/the-multi-configuration-electron-nuclear-dynamics-method-applied-to-64o9bT8oAc
Welcome to DeepDyve! Rent Premier Research Articles and Save Up to 90%

Learn more

Bookmark

The multi-configuration electron-nuclear dynamics method applied to LiH

Ulusoy, Inga S.; Nest, Mathias
The Journal of Chemical Physics , Volume 136 (5)
American Institute of Physics – Feb 7, 2012

More Info
  • Publisher American Institute of Physics
  • Copyright Copyright © 2012 American Institute of Physics
  • ISSN 0021-9606
  • eISSN 1089-7690
  • D.O.I. 10.1063/1.3682091
  • Publisher site Get PDF  

More Like This Article

View All dataSource[]=actageo&dataSource[]=aspet&dataSource[]=aaos&dataSource[]=aacc&dataSource[]=aacr&dataSource[]=aea&dataSource[]=aip&dataSource[]=ajnr&dataSource[]=ams&dataSource[]=aps_physical&dataSource[]=appi_book&dataSource[]=appi_journal&dataSource[]=apha&dataSource[]=asip&dataSource[]=asm&dataSource[]=asn&dataSource[]=aspb&dataSource[]=avs&dataSource[]=annual_reviews&dataSource[]=arxiv&dataSource[]=acm&dataSource[]=berghahn&dataSource[]=cabi&dataSource[]=clinical_trials&dataSource[]=dailymed&dataSource[]=degruyter&dataSource[]=du_press&dataSource[]=esa&dataSource[]=eu_press&dataSource[]=elsevier&dataSource[]=emerald&dataSource[]=ejtr&dataSource[]=emea&dataSource[]=epo&dataSource[]=faseb&dataSource[]=gsa&dataSource[]=health_affairs&dataSource[]=hindawi&dataSource[]=imanager&dataSource[]=imedpub&dataSource[]=informa_healthcare&dataSource[]=informs&dataSource[]=iop&dataSource[]=iucr&dataSource[]=iospress&dataSource[]=jbjs&dataSource[]=leftcoast&dataSource[]=lu_press&dataSource[]=mesharpe&dataSource[]=mary_ann_liebert&dataSource[]=medline&dataSource[]=mit_press&dataSource[]=nature&dataSource[]=oxford&dataSource[]=pier_professional&dataSource[]=pnas&dataSource[]=portlandpress&dataSource[]=psyc_articles&dataSource[]=psyc_books&dataSource[]=psyc_critiques&dataSource[]=plos_journal&dataSource[]=pubmed_central&dataSource[]=rsna&dataSource[]=rockefeller&dataSource[]=rcn&dataSource[]=ria&dataSource[]=rsc&dataSource[]=sage&dataSource[]=spie&dataSource[]=springer_journal&dataSource[]=springer&dataSource[]=taylor_francis&dataSource[]=aps&dataSource[]=the_scientist&dataSource[]=uc_press&dataSource[]=uspto_abstract&dataSource[]=wiley&dataSource[]=pct

Browse: Subject Areas | Journals | Publishers

Sign Up for a DeepDyve Account

Bookmark an Article

To bookmark an article, please log in first, or sign up for a DeepDyve account if you don't already have one.

OK

Subscribe to Journal Email Alerts

To subscribe to email alerts, please log in first, or sign up for a DeepDyve account if you don't already have one.

OK

Thank you for renting with DeepDyve

Your PayPal account has been charged $1.99. You now have access to the full text of this article. A rental receipt has also been sent to your email address.

Your credit card has been charged $1.99. You now have access to the full text of this article. A rental receipt has also been sent to your email address.

OK

New! You can now keep track of new articles from The Journal of Chemical Physics on your personalized homepage! Learn more

Article Download

To download this article, please log in first, or sign up for a DeepDyve account if you don't already have one.

Thank you for purchasing with DeepDyve

Your PayPal account has been charged $28.

Your credit card has been charged $28.

You can now download this article. A purchase receipt has also been sent to your email address.

Download This Article or I'm done with my download

Article Printing

To print this article, please log in first, or sign up for a DeepDyve account if you don't already have one.

Thank you for printing with DeepDyve

Your PayPal account has been charged $0.

Your credit card has been charged $0.

You can now print this article. A purchase receipt has also been sent to your email address.

Print the Selected Pages or I'm done with my printing

Please refresh to generate a new download link

Your article download link has expired. Please refresh this page to obtain a new download link and try again.

Follow a Journal

To get new article updates from a journal on your personalized homepage, please log in first, or sign up for a DeepDyve account if you don't already have one.

OK