Simple implementation of complex functionals: Scaled self-consistency-Reference-Cited by-同舟云学术

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Simple implementation of complex functionals: Scaled self-consistency

Published:2007-04-14 Issue:14 Volume:126 Page:144107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lima Matheus P.,Pedroza Luana S.,da Silva Antonio J. R.,Fazzio A.,Vieira Daniel,Freire Henrique J. P.,Capelle K.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2715567

Reference38 articles.

1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

2. Density Functional Theory

3. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

4. Density functionals from LDA to GGA

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1. Implementation of Orbital Functionals in the Context of Time-Dependent Density-Functional Theory;Brazilian Journal of Physics;2020-10-08

2. On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy;The Journal of Chemical Physics;2019-10-28

3. Implementation Strategies for Orbital-dependent Density Functionals;Brazilian Journal of Physics;2016-10-05

4. Investigation of Self-Interaction Corrections for an Exactly Solvable Model System: Orbital Dependence and Electron Localization;Journal of Chemical Theory and Computation;2010-10-06

5. Nonempirical hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound;Physical Review A;2009-06-30

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