| LDR | | 02087nam u200409 4500 |
| 001 | | 000000418963 |
| 005 | | 20190215163308 |
| 008 | | 181129s2017 |||||||||||||||||c||eng d |
| 020 | |
▼a 9780438120310 |
| 035 | |
▼a (MiAaPQ)AAI10902776 |
| 040 | |
▼a MiAaPQ
▼c MiAaPQ
▼d 247004 |
| 082 | 0 |
▼a 541 |
| 100 | 1 |
▼a Bazante, Alexandre P. |
| 245 | 10 |
▼a Unwanted Electrons: From New Structure Discovery to Method Realm Extension. |
| 260 | |
▼a [S.l.]:
▼b University of Florida.,
▼c 2017. |
| 260 | 1 |
▼a Ann Arbor:
▼b ProQuest Dissertations & Theses,
▼c 2017. |
| 300 | |
▼a 143 p. |
| 500 | |
▼a Source: Dissertation Abstracts International, Volume: 79-11(E), Section: B. |
| 502 | 1 |
▼a Thesis (Ph.D.)--University of Florida, 2017. |
| 520 | |
▼a 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 |
| 520 | |
▼a There are many such states |
| 520 | |
▼a 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 |
| 520 | |
▼a 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, |
| 590 | |
▼a School code: 0070. |
| 650 | 4 |
▼a Physical chemistry. |
| 650 | 4 |
▼a Quantum physics. |
| 690 | |
▼a 0494 |
| 690 | |
▼a 0599 |
| 710 | 20 |
▼a University of Florida.
▼b Chemistry. |
| 773 | 0 |
▼t Dissertation Abstracts International
▼g 79-11B(E). |
| 773 | |
▼t Dissertation Abstract International |
| 790 | |
▼a 0070 |
| 791 | |
▼a Ph.D. |
| 792 | |
▼a 2017 |
| 793 | |
▼a English |
| 856 | 40 |
▼u http://www.riss.kr/pdu/ddodLink.do?id=T15000383
▼n KERIS
▼z 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
| 980 | |
▼a 201812
▼f 2019 |
| 990 | |
▼a ***1012033 |