Electron density as the basic variable: a divide-and-conquer approach to the ab initio computation of large molecules

Author:

Yang Weitao

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference30 articles.

1. The Development of Ab Initio Methods in Molecular Electronic Structure Theory;Schaefer,1984

Cited by 63 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. DB-SpGEMM: A Massively Distributed Block-Sparse Matrix-Matrix Multiplication for Linear-Scaling DFT Calculations;Proceedings of the 53rd International Conference on Parallel Processing;2024-08-12

2. Localization-Delocalization Matrices of Large Systems;Lecture Notes in Chemistry;2024

3. Density Functional Theory Calculations for Materials with Complex Structures;The Materials Research Society Series;2023-10-26

4. Multiscale quantum algorithms for quantum chemistry;Chemical Science;2023

5. In silico approaches and challenges for quantum chemical calculations on macromolecules;In silico Approaches to Macromolecular Chemistry;2023

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