Issue 32, 2011

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

Abstract

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.

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

Article information

Article type
Paper
Submitted
15 Mar 2011
Accepted
12 May 2011
First published
06 Jun 2011

Phys. Chem. Chem. Phys., 2011,13, 14358-14364

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

X. Zheng, C. Yam, F. Wang and G. Chen, Phys. Chem. Chem. Phys., 2011, 13, 14358 DOI: 10.1039/C1CP20777F

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