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Title: A fragmentation approach to quantum calculation of large molecular systems
Authors: Zhang, Dawei
Ji, Changge
Mei, Ye
Zhang, John Z. H.
He, Xiao
Keywords: DRNTU::Science::Chemistry
Issue Date: 2012
Source: 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.
Series/Report no.: Progress in chemistry
Abstract: 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.
Rights: © 2012 Progress in Chemistry.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SPMS Journal Articles

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