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Development of Integration Techniques for Semiempirical Quantum Chemistry Methods and Density Functional Theory
Development of Integration Techniques for Semiempirical Quantum Chemistry Methods and Dens...
ข้อมูลเนื้อหา
Development of Integration Techniques for Semiempirical Quantum Chemistry Methods and Density Functional Theory
자료유형  
 학위논문파일 국외
최종처리일시  
20220210094555
ISBN  
9798535589329
DDC  
540
저자명  
Peels, Mieke.
서명/저자  
Development of Integration Techniques for Semiempirical Quantum Chemistry Methods and Density Functional Theory
발행사항  
[Sl] : The Pennsylvania State University, 2020
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2020
형태사항  
124 p
주기사항  
Source: Dissertations Abstracts International, Volume: 83-03, Section: B.
주기사항  
Advisor: Knizia, Gerald.
학위논문주기  
Thesis (Ph.D.)--The Pennsylvania State University, 2020.
일반주제명  
Chemistry
일반주제명  
Applied mathematics
일반주제명  
Quantum physics
일반주제명  
Computational chemistry
일반주제명  
Teaching
일반주제명  
Software
일반주제명  
Integrals
일반주제명  
Orbits
일반주제명  
Optimization
일반주제명  
Symmetry
일반주제명  
Approximation
일반주제명  
Polynomials
일반주제명  
Algorithms
일반주제명  
Geometry
일반주제명  
Linear algebra
키워드  
Numerical exchange-correlation integrals
키워드  
Density functional theory
키워드  
Recursive 2-center integration
키워드  
Density functional tight binding
키워드  
Molecular integral evaluation
키워드  
Fourier Transform Cartesian Separation
키워드  
Determining numerical orbitals
기타저자  
The Pennsylvania State University.
기본자료저록  
Dissertations Abstracts International. 83-03B.
기본자료저록  
Dissertation Abstract International
전자적 위치 및 접속  
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