Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach-Reference-Cited by-同舟云学术

Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach

Published:2022-01-13 Issue:2 Volume:18 Page:865-882
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mester Dávid¹^ORCID,Kállay Mihály¹^ORCID

Affiliation:

1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01100

Reference144 articles.

1. A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

2. Empirical Double‐Hybrid Density Functional Theory: A ‘Third Way’ in Between WFT and DFT

3. Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?

4. Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds

5. Double-hybrid density functionals

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