Bond functions, basis set superposition errors and other practical issues with ab initio calculations of intermolecular potentials
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry
Link
http://www.tandfonline.com/doi/pdf/10.1080/01442350110071957
Reference131 articles.
1. Ab-Initio Calculations of Small Hydrides including electron correlation
2. A new realistic potential for neon based on dilute gas bulk properties
3. An improved potential for krypton
4. On the Ne—Ne potential-energy curve and related properties
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