Unique Quantum Stress Fields

Details Unique Quantum Stress Fields Unique Quantum Stress Fields

2001-02-28

arxiv.org/abs/cond-mat/0102534v1

Physics

Condensed Matter

Materials Science

To appear in Proceedings for Fundamental Physics of Ferroelectrics (2001)

Scientific paper

10.1063/1.1399693

We have recently developed a geometric formulation of the stress field for an interacting quantum system within the local density approximation (LDA) of density functional theory (DFT). We obtain a stress field which is invariant with respect to choice of energy density. In this paper, we explicitly demonstrate this uniqueness by deriving the stress field for different energy densities. We also explain why particular energy densities give expressions for the stress field that are more tractable than others, thereby lending themselves more easily to first-principles calculations.

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