A systematic procedure for extracting fragment matrices for the method of diatomics‐in‐molecules fromabinitiocalculations on diatomics
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.443488
Reference18 articles.
1. A Method of Diatomics in Molecules. I. General Theory and Application to H2O
2. Extended diatomics in molecules calculations
3. Semiempirical Diatomics-in-Molecules Potential Energy Surfaces
4. On the valence bond diatomics‐in‐molecules method. I. A projection operator reformulation
5. Valence bond diatomics‐in‐molecules (DIM) treatment of collinear interactions of Group IIaand IIbmetal atoms with hydrogen halides: Application to the CaHCl system
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