Orbital-free tensor density functional theory

被引：5

作者：

Ovchinnikov, IV ^{[1
]}

Neuhauser, D ^{[1
]}

机构：

[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2006年 / 124卷 / 02期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2148953

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We propose a family of time-dependent orbital-free density-based theories that go beyond the usual current-density description of electrons or other particles. The theories deal with physical quantities that characterize the one-particle density matrix and consequently the kinetics of the particles. We analyze the first two theories in the family. The "lowest-order" theory is quantum hydrodynamics. The second one yields not only the longitudinal plasmon collective excitations, but also the transverse phonon modes that are associated with elementary excitations in Fermi liquids. The theories should make it feasible to do large orbital-free simulations of time-dependent and stationary systems. (c) 2006 American Institute of Physics.

引用

页数：5

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