Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions
Author:
Affiliation:
1. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Torun, Grudziadzka 5, 87-100 Torun, Poland
2. Faculty of Chemistry, Nicolaus Copernicus University in Torun, Gagarina 7, 87-100 Torun, Poland
Funder
Ministerstwo Nauki i Szkolnictwa Wyzszego
Narodowe Centrum Nauki
H2020 Marie Sklodowska-Curie Actions
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00189
Reference109 articles.
1. Potential energy surface crossings in organic photochemistry
2. Large-Scale ab Initio Quantum Chemical Calculations on Biological Systems
3. Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes
4. Theory Untangles the High-Resolution Infrared Spectrum of the ortho -H 2 -CO van der Waals Complex
5. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
Cited by 21 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. Enhancing the electron pair approximation with measurements on trapped-ion quantum computers;npj Quantum Information;2024-08-13
2. An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory;The Journal of Physical Chemistry A;2024-08-08
3. Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation;Journal of Chemical Theory and Computation;2024-05-29
4. Benchmarking Ionization Potentials from pCCD Tailored Coupled Cluster Models;Journal of Chemical Theory and Computation;2024-05-16
5. Second quantization-based symmetry-adapted perturbation theory: Generalizing exchange beyond single electron pair approximation;The Journal of Chemical Physics;2024-01-28
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