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Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics Using Quantum Vibration Perturbation Theory
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| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics Using Quantum Vibration Perturbation Theory. |
| 개인저자 | Grofe, Adam. |
| 단체저자명 | University of Minnesota. Chemistry. |
| 발행사항 | [S.l.]: University of Minnesota., 2018. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2018. |
| 형태사항 | 229 p. |
| 기본자료 저록 | Dissertation Abstracts International 79-12B(E). Dissertation Abstract International |
| ISBN | 9780438167520 |
| 학위논문주기 | Thesis (Ph.D.)--University of Minnesota, 2018. |
| 일반주기 |
Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
Adviser: Jiali Gao. |
| 요약 | This dissertation is contains two separates areas of research. The first three Chapters focus on the development and several proof-of-concepts for multistate density functional theory (MSDFT) regarding excited state chemistry. When performing co |
| 요약 | The second section of this dissertation regard vibrational dynamics. There is a multitude of methods for computing the vibrational frequency, but very few that simultaneously model anharmonicity and nuclear quantum effects in a manner that is ef |
| 일반주제명 | Chemistry. |
| 언어 | 영어 |
| 바로가기 | 
: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
