Time-dependent density functional theory on a lattice

被引:39
作者
Farzanehpour, M. [1 ,2 ]
Tokatly, I. V. [1 ,2 ,3 ]
机构
[1] Univ Pais Vasco UPV EHU, Nanobio Spect Grp, E-20018 San Sebastian, Spain
[2] Univ Pais Vasco UPV EHU, Dept Fis Mat, ETSF Sci Dev Ctr, E-20018 San Sebastian, Spain
[3] Basque Fdn Sci, IKERBASQUE, E-48011 Bilbao, Spain
关键词
SYSTEMS;
D O I
10.1103/PhysRevB.86.125130
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Time-dependent density functional theory (TDDFT) for quantum many-body systems on a lattice is formulated rigorously. We prove the uniqueness of the density-to-potential mapping and demonstrate that a given density is v representable if the initial many-body state and the density satisfy certain well-defined conditions. In particular, we show that for a system evolving from its ground state any density with a continuous second time derivative is locally in time v representable and therefore the lattice TDDFT is guaranteed to exist. The TDDFT existence and uniqueness theorem is valid for any connected lattice, independently of its size, geometry, and/or spatial dimensionality. General statements of the existence theorem are illustrated on a pedagogical exactly solvable example, which displays all the details and subtleties of the proof in a transparent form. In conclusion we briefly discuss remaining open problems and directions for future research.
引用
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页数:11
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