Canonical versus explicitly correlated coupled cluster: Post‐complete‐basis‐set extrapolation and the quest of the complete‐basis‐set limit-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Canonical versus explicitly correlated coupled cluster: Post‐complete‐basis‐set extrapolation and the quest of the complete‐basis‐set limit

Published:2020-12-29 Issue:9 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Varandas António J. C.¹²³^ORCID

Affiliation:

1. School of Physics and Physical Engineering Qufu Normal University Qufu China

2. Departamento de Física Universidade Federal do Espírito Santo Vitoria Brazil

3. Department of Chemistry, Coimbra Chemistry Centre University of Coimbra Coimbra Portugal

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26598

Reference75 articles.

1. Explicitly correlated electronic structure theory from R12/F12 ansätze

2. Explicitly Correlated R12/F12 Methods for Electronic Structure

3. Explicitly Correlated Electrons in Molecules

4. Accurate atomization energies from combining coupled-cluster computations with interference-corrected explicitly correlated second-order perturbation theory

5. Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory

Cited by 15 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. Tipping point to explain melamine’s non-planarity or otherwise. Can quasi-molecules be “seen” in the parent molecule?;Chemical Physics Letters;2024-10

2. Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition;The Journal of Physical Chemistry A;2024-08-21

3. Boron and nitrogen cluster families analogous to carbon family: how quasi-molecule theory predicts their planarity or otherwise;Molecular Physics;2024-04-25

4. Cn, CnH and their anions: Quest for linearity with n≤8 even versus odd, and beyond;International Journal of Quantum Chemistry;2024-01-04

5. Why are some B _{6-
n} N _n H ₆ molecules planar and others not? Insights from quasi-molecule theory;Molecular Physics;2023-11-20

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