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A fragmentation approach to quantum calculation of large molecular systems

  • Ye Mei
  • , Xiao He
  • , Changge Ji
  • , Dawei Zhang
  • , John Z.H. Zhang*
  • *此作品的通讯作者
  • East China Normal University
  • Nanyang Technological University
  • New York University

科研成果: 期刊稿件文章同行评审

摘要

Fragmentation method has opened a new door for the development of quantum mechanical methods and their applications to large molecules. In the past decade, we have evidenced much progress in this field, and this development is believed to be continued in the future. This article provides a brief overview on the recent development of fragmentation-based methods for electron structure calculation of large molecular systems, with highlight on contribution by researchers from China in this field.

源语言英语
页(从-至)1058-1064
页数7
期刊Progress in Chemistry
24
6
出版状态已出版 - 6月 2012

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