Linear-scaling computation of excited states in time-domain

作     者：YAM ChiYung CHEN GuanHua 

作者机构：Department of Chemistry The University of Hong Kong Beijing Computational Science Research Center 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2014年第57卷第1期

页      面：70-77页

核心收录：

学科分类：0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0702[理学-物理学] 

基　　金：the Hong Kong Research Grant Council(HKU7009/09P,7008/11P,and HKUST9/CRF/08) the Hong Kong University Grant Coun-cil(AoE/P-04/08) the National Natural Science Foundation of China(21273186)for support 

主　　题：linear-scaling methods,quantum chemistry,time-domain,density matrix 

摘      要：The applicability of quantum mechanical methods is severely limited by their poor *** circumvent the problem,linearscaling methods for quantum mechanical calculations had been *** physical basis of linear-scaling methods is the locality in quantum mechanics where the properties or observables of a system are weakly influenced by factors spatially far *** the substantial efforts spent on devising linear-scaling methods for ground state,there is also a growing interest in the development of linear-scaling methods for excited *** review gives an overview of linear-scaling approaches for excited states solved in real time-domain.