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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 Density Functional Theory
상세정보
- 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
- 기본자료저록
- Dissertations Abstracts International. 83-03B.
- 기본자료저록
- Dissertation Abstract International
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
008220131s2020 us c eng d■001000016054970
■00520220210094555
■020 ▼a9798535589329
■035 ▼a(MiAaPQ)AAI28767665
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a540
■1001 ▼aPeels, Mieke.
■24510▼aDevelopment of Integration Techniques for Semiempirical Quantum Chemistry Methods and Density Functional Theory
■260 ▼a[Sl]▼bThe Pennsylvania State University▼c2020
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2020
■300 ▼a124 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 83-03, Section: B.
■500 ▼aAdvisor: Knizia, Gerald.
■5021 ▼aThesis (Ph.D.)--The Pennsylvania State University, 2020.
■590 ▼aSchool code: 0176.
■650 4▼aChemistry
■650 4▼aApplied mathematics
■650 4▼aQuantum physics
■650 4▼aComputational chemistry
■650 4▼aTeaching
■650 4▼aSoftware
■650 4▼aIntegrals
■650 4▼aOrbits
■650 4▼aOptimization
■650 4▼aSymmetry
■650 4▼aApproximation
■650 4▼aPolynomials
■650 4▼aAlgorithms
■650 4▼aGeometry
■650 4▼aLinear algebra
■653 ▼aNumerical exchange-correlation integrals
■653 ▼aDensity functional theory
■653 ▼aRecursive 2-center integration
■653 ▼aDensity functional tight binding
■653 ▼aMolecular integral evaluation
■653 ▼aFourier Transform Cartesian Separation
■653 ▼aDetermining numerical orbitals
■690 ▼a0599
■690 ▼a0219
■690 ▼a0485
■690 ▼a0364
■71020▼aThe Pennsylvania State University.
■7730 ▼tDissertations Abstracts International▼g83-03B.
■773 ▼tDissertation Abstract International
■790 ▼a0176
■791 ▼aPh.D.
■792 ▼a2020
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T16054970▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
■980 ▼a202202▼f2022
