找回密码
 To register

QQ登录

只需一步,快速开始

扫一扫,访问微社区

Titlebook: Basis Sets in Computational Chemistry; Eva Perlt Book 2021 Springer Nature Switzerland AG 2021 quantum chemistry.wave function.basis sets.

[复制链接]
查看: 21403|回复: 42
发表于 2025-3-21 16:19:05 | 显示全部楼层 |阅读模式
期刊全称Basis Sets in Computational Chemistry
影响因子2023Eva Perlt
视频videohttp://file.papertrans.cn/182/181289/181289.mp4
发行地址Discusses basis sets for different methods and problems.Includes a chapter on mathematical error analysis.Features contributions from leaders in the field
学科分类Lecture Notes in Chemistry
图书封面Titlebook: Basis Sets in Computational Chemistry;  Eva Perlt Book 2021 Springer Nature Switzerland AG 2021 quantum chemistry.wave function.basis sets.
影响因子.This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful asa guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods. .
Pindex Book 2021
The information of publication is updating

书目名称Basis Sets in Computational Chemistry影响因子(影响力)




书目名称Basis Sets in Computational Chemistry影响因子(影响力)学科排名




书目名称Basis Sets in Computational Chemistry网络公开度




书目名称Basis Sets in Computational Chemistry网络公开度学科排名




书目名称Basis Sets in Computational Chemistry被引频次




书目名称Basis Sets in Computational Chemistry被引频次学科排名




书目名称Basis Sets in Computational Chemistry年度引用




书目名称Basis Sets in Computational Chemistry年度引用学科排名




书目名称Basis Sets in Computational Chemistry读者反馈




书目名称Basis Sets in Computational Chemistry读者反馈学科排名




单选投票, 共有 0 人参与投票
 

0票 0%

Perfect with Aesthetics

 

0票 0%

Better Implies Difficulty

 

0票 0%

Good and Satisfactory

 

0票 0%

Adverse Performance

 

0票 0%

Disdainful Garbage

您所在的用户组没有投票权限
发表于 2025-3-21 21:25:44 | 显示全部楼层
978-3-030-67264-5Springer Nature Switzerland AG 2021
发表于 2025-3-22 03:25:49 | 显示全部楼层
发表于 2025-3-22 08:27:02 | 显示全部楼层
Teaching IoT in the Classroom and Remotely mathematical challenges of solving immanent multicenter integrals in density functional theory (DFT). Two types of orbitals viz. Gaussian-type orbitals (GTOs) and STOs are being discussed about their importance in atomic orbital-based calculations and compared their advantages and disadvantages in
发表于 2025-3-22 09:27:14 | 显示全部楼层
发表于 2025-3-22 13:25:45 | 显示全部楼层
发表于 2025-3-22 18:12:05 | 显示全部楼层
发表于 2025-3-22 22:29:30 | 显示全部楼层
Antonio Maturo,Rina Manuela Continiwidely used, though the exact functional is not known. Hartree-Fock theory is a mathematically clear theory, but usually shows larger deviations due to the effects of electronic correlation which are not included. Schemes employing many-body theory are very accurate, but also very demanding, and the
发表于 2025-3-23 01:21:38 | 显示全部楼层
发表于 2025-3-23 08:22:52 | 显示全部楼层
The Funding of Higher Education in Englandcause, for general inter-particle interactions, the complexity of a wavefunction grows exponentially with the system size. While expanding the wavefunctions in terms of standard predefined basis sets is well established in the electronic structure theory and computations, it is not so in the quantum
 关于派博传思  派博传思旗下网站  友情链接
派博传思介绍 公司地理位置 论文服务流程 影响因子官网 吾爱论文网 大讲堂 北京大学 Oxford Uni. Harvard Uni.
发展历史沿革 期刊点评 投稿经验总结 SCIENCEGARD IMPACTFACTOR 派博系数 清华大学 Yale Uni. Stanford Uni.
QQ|Archiver|手机版|小黑屋| 派博传思国际 ( 京公网安备110108008328) GMT+8, 2025-8-9 12:16
Copyright © 2001-2015 派博传思   京公网安备110108008328 版权所有 All rights reserved
快速回复 返回顶部 返回列表