The cost of accurate wave function methods can be enormously reduced through combining pair natural orbital techniques and explicitly correlated theory. We present an improved formulation, focusing on second-order Moller-Plesset theory.
Frontiers in Wave Function Theory
Pair natural orbitals in explicitly correlated second-order møller–plesset theory†
Article first published online: 14 APR 2012
Copyright © 2011 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics
Volume 113, Issue 3, pages 224–229, 5 February 2013
How to Cite
Tew, D. P. and Hättig, C. (2013), Pair natural orbitals in explicitly correlated second-order møller–plesset theory. Int. J. Quantum Chem., 113: 224–229. doi: 10.1002/qua.24098
- Issue published online: 17 DEC 2012
- Article first published online: 14 APR 2012
- Manuscript Accepted: 29 FEB 2012
- Manuscript Revised: 26 FEB 2012
- Manuscript Received: 15 JAN 2012
- Deutsche Forschungsgemeinschaft; Royal Society (University Research Fellow scheme, D.P.T.)
Options for accessing this content:
- If you have access to this content through a society membership, please first log in to your society website.
- If you would like institutional access to this content, please recommend the title to your librarian.
- Login via other institutional login options http://onlinelibrary.wiley.com/login-options.
- You can purchase online access to this Article for a 24-hour period (price varies by title)
- If you already have a Wiley Online Library or Wiley InterScience user account: login above and proceed to purchase the article.
- New Users: Please register, then proceed to purchase the article.
Login via OpenAthens
Search for your institution's name below to login via Shibboleth.
Registered Users please login:
- Access your saved publications, articles and searches
- Manage your email alerts, orders and subscriptions
- Change your contact information, including your password
Please register to:
- Save publications, articles and searches
- Get email alerts
- Get all the benefits mentioned below!