A fragmentation approach to quantum calculation of large molecular systems
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...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2014
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/99237 http://hdl.handle.net/10220/24043 http://www.progchem.ac.cn/EN/abstract/abstract10855.shtml |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | Nanyang Technological University |
| Language: | English |
| id |
sg-ntu-dr.10356-99237 |
|---|---|
| record_format |
dspace |
| spelling |
sg-ntu-dr.10356-992372019-12-06T20:04:56Z A fragmentation approach to quantum calculation of large molecular systems Zhang, Dawei Ji, Changge Mei, Ye Zhang, John Z. H. He, Xiao School of Physical and Mathematical Sciences DRNTU::Science::Chemistry 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. 2014-10-15T06:41:46Z 2019-12-06T20:04:56Z 2014-10-15T06:41:46Z 2019-12-06T20:04:56Z 2012 2012 Journal Article Mei, Y., He, X., Ji, C., Zhang, D., & Zhang, J. Z. H. (2012). A fragmentation approach to quantum calculation of large molecular systems. Progress in chemistry, 24(6), 1058-1064. https://hdl.handle.net/10356/99237 http://hdl.handle.net/10220/24043 http://www.progchem.ac.cn/EN/abstract/abstract10855.shtml en Progress in chemistry © 2012 Progress in Chemistry. |
| institution |
Nanyang Technological University |
| building |
NTU Library |
| country |
Singapore |
| collection |
DR-NTU |
| language |
English |
| topic |
DRNTU::Science::Chemistry |
| spellingShingle |
DRNTU::Science::Chemistry Zhang, Dawei Ji, Changge Mei, Ye Zhang, John Z. H. He, Xiao A fragmentation approach to quantum calculation of large molecular systems |
| description |
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. |
| author2 |
School of Physical and Mathematical Sciences |
| author_facet |
School of Physical and Mathematical Sciences Zhang, Dawei Ji, Changge Mei, Ye Zhang, John Z. H. He, Xiao |
| format |
Article |
| author |
Zhang, Dawei Ji, Changge Mei, Ye Zhang, John Z. H. He, Xiao |
| author_sort |
Zhang, Dawei |
| title |
A fragmentation approach to quantum calculation of large molecular systems |
| title_short |
A fragmentation approach to quantum calculation of large molecular systems |
| title_full |
A fragmentation approach to quantum calculation of large molecular systems |
| title_fullStr |
A fragmentation approach to quantum calculation of large molecular systems |
| title_full_unstemmed |
A fragmentation approach to quantum calculation of large molecular systems |
| title_sort |
fragmentation approach to quantum calculation of large molecular systems |
| publishDate |
2014 |
| url |
https://hdl.handle.net/10356/99237 http://hdl.handle.net/10220/24043 http://www.progchem.ac.cn/EN/abstract/abstract10855.shtml |
| _version_ |
1681047577281167360 |