One- and two-center physical space partitioning of the energy in the density functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2741258
Reference31 articles.
1. Atomic decomposition of identity: General formalism for population analysis and energy decomposition
2. Energy decompositions according to physical space partitioning schemes
3. A chemical energy component analysis
4. An exact chemical decomposition scheme for the molecular energy
5. Density functional energy decomposition into one- and two-atom contributions
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