Perturbative total energy evaluation in self-consistent field Iterations: Tests on molecular systems
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3104662
Reference23 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Linear scaling electronic structure methods
4. First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond
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