The screening effects of the screened exchange hybrid functional in surface systems: A case study on the CO/Pt(111) problem-Reference-Cited by-同舟云学术

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The screening effects of the screened exchange hybrid functional in surface systems: A case study on the CO/Pt(111) problem

Published:2016-06 Issue:6 Volume:6 Page:065309
ISSN:2158-3226
Container-title:AIP Advances
language:en
Short-container-title:AIP Advances

Author:

Li H.¹,Gillen R.²,Robertson J.³

Affiliation:

1. Department of Precision Instrument, Tsinghua University, Beijing, 100084, China

2. Institut für Festkörperphysik. Technische Universität Berlin. Hardenbergstr. 36, 10623 Berlin, Germany

3. Engineering Department, University of Cambridge, Cambridge CB2 1PZ, UK

Funder

EC project GRAFOL

China Postdoctoral Science Foundation

Publisher

AIP Publishing

Subject

General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4954032

Reference56 articles.

1. Density Functional Theory of Electronic Structure

2. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

3. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

4. Self-Consistent Equations Including Exchange and Correlation Effects

5. Generalized Gradient Approximation Made Simple

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quantum Monte Carlo Studies of CO Adsorption on Transition Metal Surfaces;The Journal of Physical Chemistry C;2019-06-03

2. Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO4 and FePO4;RSC Advances;2019

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