Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets

Published:2023-12-01 Issue:23 Volume:19 Page:8871-8885
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yourdkhani Sirous¹^ORCID,Klimeš Jiří¹^ORCID

Affiliation:

1. Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Prague 2 CZ-12116, Czech Republic

Funder

Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00930

Reference77 articles.

1. Norm-Conserving Pseudopotentials

2. Efficient pseudopotentials for plane-wave calculations

3. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

4. Projector augmented-wave method

5. Blöchl, P. E.; Kästner, J.; Först, C. J. Handbook of Materials Modeling: Methods; Yip, S., Ed. Springer Netherlands: Dordrecht, 2005; pp 93–119.

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP