Development of Relativistic Electronic Structure Approaches for the Calculation of Structural, Mechanical and Spectroscopic Properties of Infinite Periodic Systems
开发用于计算无限周期系统的结构、力学和光谱特性的相对论电子结构方法
基本信息
- 批准号:545643-2020
- 负责人:
- 金额:$ 3.28万
- 依托单位:
- 依托单位国家:加拿大
- 项目类别:Postdoctoral Fellowships
- 财政年份:2021
- 资助国家:加拿大
- 起止时间:2021-01-01 至 2022-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Software and Development, Theoretical Physics and Chemistry, Condensed Matter Physics, Materials Science and Technology, Inorganic Chemistry, Organic Chemistry, Geophysics, Geochemistry, Earth Science, Environmental Sciences
软件与开发、理论物理与化学、凝聚态物理、材料科学与技术、无机化学、有机化学、地球物理、地球化学、地球科学、环境科学
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Desmarais, Jacques其他文献
Desmarais, Jacques的其他文献
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{{ truncateString('Desmarais, Jacques', 18)}}的其他基金
Development of Relativistic Electronic Structure Approaches for the Calculation of Structural, Mechanical and Spectroscopic Properties of Infinite Periodic Systems
开发用于计算无限周期系统的结构、力学和光谱特性的相对论电子结构方法
- 批准号:
545643-2020 - 财政年份:2020
- 资助金额:
$ 3.28万 - 项目类别:
Postdoctoral Fellowships
Development, Implementation and Application of Coupled-Perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) Techniques for the Study of Linear and Non-linear Optical Properties of Solids and Minerals
用于研究固体和矿物的线性和非线性光学性质的耦合扰动 Hartree-Fock/Kohn-Sham (CPHF/KS) 技术的开发、实施和应用
- 批准号:
501266-2016 - 财政年份:2018
- 资助金额:
$ 3.28万 - 项目类别:
Vanier Canada Graduate Scholarship Tri-Council - Doctoral 3 years
Development, Implementation and Application of Coupled-Perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) Techniques for the Study of Linear and Non-linear Optical Properties of Solids and Minerals
用于研究固体和矿物的线性和非线性光学性质的耦合扰动 Hartree-Fock/Kohn-Sham (CPHF/KS) 技术的开发、实施和应用
- 批准号:
501266-2016 - 财政年份:2017
- 资助金额:
$ 3.28万 - 项目类别:
Vanier Canada Graduate Scholarship Tri-Council - Doctoral 3 years
Development, Implementation and Application of Coupled-Perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) Techniques for the Study of Linear and Non-linear Optical Properties of Solids and Minerals
用于研究固体和矿物的线性和非线性光学性质的耦合扰动 Hartree-Fock/Kohn-Sham (CPHF/KS) 技术的开发、实施和应用
- 批准号:
501266-2016 - 财政年份:2016
- 资助金额:
$ 3.28万 - 项目类别:
Vanier Canada Graduate Scholarship Tri-Council - Doctoral 3 years
The electronic structure of Pentlandite: implications for meteorites and incorporation of platinum group elements
镍黄铁矿的电子结构:对陨石和铂族元素掺入的影响
- 批准号:
480874-2015 - 财政年份:2015
- 资助金额:
$ 3.28万 - 项目类别:
Alexander Graham Bell Canada Graduate Scholarships - Master's
Decomposition of moving-loop electromagnetic responses
动环电磁响应的分解
- 批准号:
462805-2014 - 财政年份:2014
- 资助金额:
$ 3.28万 - 项目类别:
University Undergraduate Student Research Awards
Determining optimal line spacing for ground electromagnetic surveys
确定地面电磁测量的最佳线距
- 批准号:
445447-2013 - 财政年份:2013
- 资助金额:
$ 3.28万 - 项目类别:
University Undergraduate Student Research Awards
Identification of dust particles in households in proximity to tailings, smelters and refineries
识别靠近尾矿、冶炼厂和精炼厂的家庭中的灰尘颗粒
- 批准号:
432614-2012 - 财政年份:2012
- 资助金额:
$ 3.28万 - 项目类别:
University Undergraduate Student Research Awards
相似海外基金
Development of Relativistic Electronic Structure Approaches for the Calculation of Structural, Mechanical and Spectroscopic Properties of Infinite Periodic Systems
开发用于计算无限周期系统的结构、力学和光谱特性的相对论电子结构方法
- 批准号:
545643-2020 - 财政年份:2022
- 资助金额:
$ 3.28万 - 项目类别:
Postdoctoral Fellowships
Development of Relativistic Electronic Structure Approaches for the Calculation of Structural, Mechanical and Spectroscopic Properties of Infinite Periodic Systems
开发用于计算无限周期系统的结构、力学和光谱特性的相对论电子结构方法
- 批准号:
545643-2020 - 财政年份:2020
- 资助金额:
$ 3.28万 - 项目类别:
Postdoctoral Fellowships
Breaking the Curse of Dimension in Actinide Chemistry: Using Relativistic, Open-Shell Geminal Methods to Provide an Efficient and Robust Computational Model for the Electronic Structure of Molecular C
打破锕系化学中的维数诅咒:利用相对论、开壳层双子方法为分子 C 的电子结构提供高效、鲁棒的计算模型
- 批准号:
491392-2015 - 财政年份:2015
- 资助金额:
$ 3.28万 - 项目类别:
Banting Postdoctoral Fellowships Tri-council
A study of quasidegenerate electronic states by relativistic multi-reference theory
相对论多参考理论研究准副生成电子态
- 批准号:
24550027 - 财政年份:2012
- 资助金额:
$ 3.28万 - 项目类别:
Grant-in-Aid for Scientific Research (C)
Investigation on the electronic structure of the actinide dioxide by the relativistic band calculation incorporating the effect of CEF potential.
通过结合 CEF 势效应的相对论能带计算研究二氧化锕系元素的电子结构。
- 批准号:
19540372 - 财政年份:2007
- 资助金额:
$ 3.28万 - 项目类别:
Grant-in-Aid for Scientific Research (C)
Development of the relativistic theory for electronic states
电子态相对论理论的发展
- 批准号:
18066015 - 财政年份:2006
- 资助金额:
$ 3.28万 - 项目类别:
Grant-in-Aid for Scientific Research on Priority Areas
One- to four-component correlated relativistic electronic structure methods based on density matrix renormalization group techniques
基于密度矩阵重正化群技术的一到四分量相关相对论电子结构方法
- 批准号:
5412531 - 财政年份:2003
- 资助金额:
$ 3.28万 - 项目类别:
Priority Programmes
Relativistic Electronic Structure Theory and Its Applications to Chemical Reactions
相对论电子结构理论及其在化学反应中的应用
- 批准号:
11166259 - 财政年份:1999
- 资助金额:
$ 3.28万 - 项目类别:
Grant-in-Aid for Scientific Research on Priority Areas (A)
Theoretical study of electronic transitions in relativistic heavy-ion collisions
相对论性重离子碰撞中电子跃迁的理论研究
- 批准号:
02640288 - 财政年份:1990
- 资助金额:
$ 3.28万 - 项目类别:
Grant-in-Aid for General Scientific Research (C)
Relativistic Electronic Structure Calculations in the Multiple Scattering Approximations (Chemistry)
多重散射近似中的相对论电子结构计算(化学)
- 批准号:
8796200 - 财政年份:1986
- 资助金额:
$ 3.28万 - 项目类别:
Continuing Grant