Journal
CHEMICAL PHYSICS LETTERS
Volume 464, Issue 4-6, Pages 139-143Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2008.09.002
Keywords
-
Funding
- National Science Foundation [CHE518253]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0809457] Funding Source: National Science Foundation
Ask authors/readers for more resources
Expressions for the analytical gradients of the PM1 polarization model for describing the interaction of excess electrons with water clusters are reported. For the (H2O)(45)(-) cluster, evaluation of the gradient by use of the analytical expressions lead to a factor of five speedup over numerical evaluation of the gradient. (C) 2008 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
