Self-interaction corrected multiple-scattering Xα method: Application to molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference98 articles.
1. Suggestions from Solid‐State Theory Regarding Molecular Calculations
2. ``Multiple‐Scattering'' Model for Polyatomic Molecules
3. Scattered-Wave Theory of the Chemical Bond
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1. Symmetry Breaking within Fermi–Löwdin Orbital Self-Interaction Corrected Density Functional Theory;Journal of Chemical Theory and Computation;2017-11-20
2. Self-interaction-corrected local-spin-density calculations for rare earth materials;International Journal of Quantum Chemistry;2000
3. Applications of Self-Interaction Corrections to Localized States in Solids;Electronic Density Functional Theory;1998
4. Critical assessment of the self-interaction-corrected–local-density-functional method and its algorithmic implementation;Physical Review A;1997-03-01
5. Electronic structure of cerium in the self-interaction-corrected local-spin-density approximation;Physical Review B;1996-02-15
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