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Phys Chem Chem Phys. 2011 Aug 28;13(32):14358-64. doi: 10.1039/c1cp20777f. Epub 2011 Jun 6.

Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

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Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, China.


We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.


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