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Quantum Monte Carlo calculations of energy gaps from first principles

Published:2018-08-13 Issue:7 Volume:98 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Hunt R. J.,Szyniszewski M.,Prayogo G. I.,Maezono R.,Drummond N. D.

Funder

Engineering and Physical Sciences Research Council

Ministry of Education, Culture, Sports, Science and Technology

Air Force Office of Scientific Research

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.98.075122/fulltext

Reference165 articles.

1. Density functional theory and the band gap problem

2. Generalized Kohn-Sham schemes and the band-gap problem

3. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

4. Density‐functional thermochemistry. III. The role of exact exchange

5. Hybrid functionals based on a screened Coulomb potential

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