Critical Evaluation of Shift Techniques Applicable to Multireference Perturbation Theory
碩士 === 國立交通大學 === 應用化學系碩博士班 === 99 === For describing excited states and open-shell systems, multireference perturbation theory (MRPT) is the most reliable and computationally feasible among accurate electron-correlation methods. However, the MRPT methods are subject to a serious problem, known as t...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2011
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/61001009577524222314 |