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Unwanted Electrons: From New Structure Discovery to Method Realm Extension
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| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | Unwanted Electrons: From New Structure Discovery to Method Realm Extension. |
| 개인저자 | Bazante, Alexandre P. |
| 단체저자명 | University of Florida. Chemistry. |
| 발행사항 | [S.l.]: University of Florida., 2017. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2017. |
| 형태사항 | 143 p. |
| 기본자료 저록 | Dissertation Abstracts International 79-11B(E). Dissertation Abstract International |
| ISBN | 9780438120310 |
| 학위논문주기 | Thesis (Ph.D.)--University of Florida, 2017. |
| 일반주기 |
Source: Dissertation Abstracts International, Volume: 79-11(E), Section: B.
|
| 요약 | The "gold-standard" of quantum chemistry---namely CCSD(T)---has had many proven successes at quantitatively describing the wavefunction of small to medium sized molecules. But, there are limitations to the method's applicability. CCSD(T) formall |
| 요약 | There are many such states |
| 요약 | Common approaches so far have aimed to provide an accurate treatment of the complex part of the wavefunction directly, through extension of the electron correlation equations. In this study, however, we show that---given proper care---the necess |
| 요약 | The versatility of the coupled-cluster framework offers many different methods tailored towards different purposes. The electron attachment flavors of EOM are particularly suited to treat metastable anions, whether shape- or Feshbach resonances, |
| 일반주제명 | Physical chemistry. Quantum physics. |
| 언어 | 영어 |
| 바로가기 | 
: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
