Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms-Reference-Cited by-同舟云学术

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Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms

Published:2020-11-18 Issue:12 Volume:16 Page:7413-7430
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jana Subrata¹^ORCID,Śmiga Szymon²^ORCID,Constantin Lucian A.³^ORCID,Samal Prasanjit¹^ORCID

Affiliation:

1. School of Physical Sciences, National Institute of Science Education and Research, HBNI, Bhubaneswar 752050, India

2. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Toruń, Poland

3. Consiglio Nazionale delle Ricerche CNR-NANO, Istituto di Nanoscienze, 41125 Modena, Italy

Funder

Narodowe Centrum Nauki

National Institute of Science Education and Research

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00823

Reference218 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Inhomogeneous Electron Gas

3. Perspective on density functional theory

4. On the simple constrained-search reformulation of the Hohenberg-Kohn theorem to include degeneracies and more (1964-1979)

5. Mathematical thoughts in DFT

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3. Adiabatic connection interaction strength interpolation method made accurate for the uniform electron gas;The Journal of Chemical Physics;2023-12-27

4. Physically meaningful solutions of optimized effective potential equations in a finite basis set within KS-DFT framework;Polish Quantum Chemistry from Kołos to Now;2023

5. Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculations;Electronic Structure;2022-10-28

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