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Effective Maxwell equations from time-dependent density functional theory

โœ Scribed by E Weinan; Jianfeng Lu; Xu Yang


Publisher
Institute of Mathematics, Chinese Academy of Sciences and Chinese Mathematical Society
Year
2011
Tongue
English
Weight
360 KB
Volume
27
Category
Article
ISSN
1439-7617

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## Abstract A highly efficient new algorithm for timeโ€dependent densityโ€functional theory (TDDFT) calculations is presented. In this algorithm, a dualโ€level approach to speed up DFT calculations (Nakajima and Hirao, J Chem Phys 2006, 124, 184108) is combined with a stateโ€specific (SS) algorithm for