Exploring local range separation: The role of spin scaling and one-electron self-interaction-Reference-Cited by-同舟云学术

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Exploring local range separation: The role of spin scaling and one-electron self-interaction

Published:2019-10-21 Issue:15 Volume:151 Page:154108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Aschebrock Thilo¹^ORCID,Kümmel Stephan¹^ORCID

Affiliation:

1. Theoretical Physics IV, University of Bayreuth, 95440 Bayreuth, Germany

Funder

Bavarian State Ministry of Science, Research and the Arts

Bavarian Polymer Institute

German-Israeli Foundation for Scientific Research and Development

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5121731

Reference75 articles.

1. Density functionals for the Yukawa electron-electron interaction

2. Long-range–short-range separation of the electron-electron interaction in density-functional theory

3. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

4. Charge-Transfer Excitations: A Challenge for Time-Dependent Density Functional Theory That Has Been Met

5. Orbital functional for exchange and correlation: self-interaction correction to the local density approximation

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1. Combining Local Range Separation and Local Hybrids: A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional;The Journal of Physical Chemistry A;2024-06-21

2. Toward the Next Generation of Density Functionals: Escaping the Zero-Sum Game by Using the Exact-Exchange Energy Density;Accounts of Chemical Research;2024-06-21

3. Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation;The Journal of Chemical Physics;2024-05-08

4. Toward a correct treatment of core properties with local hybrid functionals;Journal of Computational Chemistry;2023-08-28

5. Accurate Ionization Potentials, Electron Affinities, and Band Gaps from the ωLH22t Range-Separated Local Hybrid Functional: No Tuning Required;Journal of Chemical Theory and Computation;2023-05-19

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