Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

Published:2016-03-28 Issue:9 Volume:93 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Nazarov R.,Shulenburger L.,Morales M.,Hood Randolph Q.

Funder

U.S. Department of Energy

Basic Energy Sciences

National Nuclear Security Administration

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.93.094111/fulltext

Reference96 articles.

1. Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

2. Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes

3. Electronic surface error in the Si interstitial formation energy

4. Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca

5. Vacancies in Metals: From First-Principles Calculations to Experimental Data

Cited by 24 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. From structure to surface tension of small silicon clusters by Quantum Monte Carlo simulations;Surface Science;2024-09

2. Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree–Fock Slater Determinant;Journal of Chemical Theory and Computation;2023-11-09

3. Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method;The Journal of Chemical Physics;2023-10-27

4. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo;The Journal of Chemical Physics;2023-06-08

5. Accuracy of Noncovalent Interactions Involving d-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials;Journal of Chemical Theory and Computation;2023-02-08

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

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3