An optimized twist angle to find the twist-averaged correlation energy applied to the uniform electron gas-Reference-Cited by-同舟云学术

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An optimized twist angle to find the twist-averaged correlation energy applied to the uniform electron gas

Published:2019-05-21 Issue:19 Volume:150 Page:191101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Mihm Tina N.¹²^ORCID,McIsaac Alexandra R.³,Shepherd James J.¹²^ORCID

Affiliation:

1. Department of Chemistry, University of Iowa, Iowa City, Iowa 52242-1002, USA

2. University of Iowa Informatics Initiative, University of Iowa, Iowa City, Iowa 52242-1002, USA

3. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA

Funder

National Science Foundation

University of Iowa

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5091445

Reference138 articles.

1. Wavefunction-based electron correlation methods for solids

2. Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

3. Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions

4. Finite-size errors in continuum quantum Monte Carlo calculations

5. Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory

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1. Efficient method for twist-averaged coupled cluster calculation of gap energy: Bulk study of stannic oxide;AIP Advances;2024-09-01

2. Inverse Volume Scaling of Finite-Size Error in Periodic Coupled Cluster Theory;Physical Review X;2024-03-28

3. Finite-size effects in periodic coupled cluster calculations;Journal of Computational Physics;2024-03

4. Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory;Mathematics of Computation;2023-07-26

5. How the Exchange Energy Can Affect the Power Laws Used to Extrapolate the Coupled Cluster Correlation Energy to the Thermodynamic Limit;Journal of Chemical Theory and Computation;2023-03-14

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