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Related Experiment Video

Updated: Jun 3, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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Published on: May 27, 2020

Effective model hierarchies for dynamic and static classical density functional theories.

S Majaniemi¹, N Provatas, M Nonomura

¹Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11100, FI-00076 Aalto, Finland. maj@fyslab.hut.fi

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|March 10, 2011

Summary

This summary is machine-generated.

This study presents a method for creating effective model hierarchies for crystalline solids. It shows how combining projection operator formalism with density functional theory can yield accurate large-scale hydrodynamics but incomplete transport properties.

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Area of Science:

Condensed Matter Physics
Materials Science
Statistical Mechanics

Background:

Effective model hierarchies are crucial for understanding complex material behaviors.
Deriving these hierarchies from microscopic models presents significant theoretical challenges.

Purpose of the Study:

To present the origin and methodology for deriving effective model hierarchies.
To apply these methods to the solidification of crystalline solids.
To investigate the relationship between microscopic models and macroscopic properties.

Main Methods:

Utilizing the projection operator formalism.
Integrating static classical density functional theories.
Developing a dynamic generalization of density functional theory based on the nonequilibrium generating functional.

Main Results:

Successfully reproduced linearized hydrodynamics on large scales.
Demonstrated that combining projection operator formalism with static density functional theories leads to incomplete mass transport properties.
Proposed a novel dynamic generalization of density functional theory.

Conclusions:

The proposed dynamic generalization offers a more natural way to couple macrovariable dynamics with classical density functional theory.
This approach enhances the derivation of effective model hierarchies for materials like crystalline solids.
Further research is needed to fully validate the proposed dynamic theory.