Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method
Author:
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Reference121 articles.
1. Variational quantum approaches for computing vibrational energies of polyatomic molecules;Bowman;Mol Phys,2008
2. Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations;Heislbetz;J Chem Phys,2010
3. Vibrational coupled cluster response theory: A general implementation;Seidler;J Chem Phys,2011
4. On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules;Matyus;J Chem Phys,2009
5. Combination of perturbative and variational methods for calculating molecular spectra: Calculation of the ν = 3-5 ch stretch overtone spectrum of chf3;Ramesh;J Chem Phys,2006
Cited by 210 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. MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics;The Journal of Chemical Physics;2024-08-28
2. HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update;WIREs Computational Molecular Science;2024-07
3. A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces;The Journal of Chemical Physics;2024-06-13
4. Unveiling the chemical kinetics of aminomethanol (NH2CH2OH): insights into O.H and O2 photo-oxidation reactions and formamide dominance;Frontiers in Chemistry;2024-05-30
5. CO2 inside sI clathrate-like cages: Automated construction of neural network/machine learned guest–host potential and quantum spectra computations;The Journal of Chemical Physics;2024-05-10
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