A fragmentation approach to quantum calculation of large molecular systems

• Main Authors: Zhang, Dawei, Ji, Changge, Mei, Ye, Zhang, John Z. H., He, Xiao
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Science::Chemistry
• Online Access: https://hdl.handle.net/10356/99237; http://hdl.handle.net/10220/24043; http://www.progchem.ac.cn/EN/abstract/abstract10855.shtml
• Institution: Nanyang Technological University

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 ove...