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A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference

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Four-body correlation embedded in antisymmetrized geminal power wave function.

Airi Kawasaki¹, Osamu Sugino¹

¹Institute for Solid State Physics, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581, Japan.

The Journal of Chemical Physics

|January 5, 2017

Summary

This summary is machine-generated.

This study enhances antisymmetrized geminal power (AGP) theory to model strong electron correlation, improving accuracy and efficiency for complex systems like defects.

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Area of Science:

Quantum chemistry
Strongly correlated electron systems
Computational physics

Background:

The antisymmetrized geminal power (AGP) is a powerful wave function ansatz.
Accurately describing systems with strong electron correlation remains a challenge.
Existing methods may struggle with computational efficiency and accuracy for complex correlations.

Purpose of the Study:

To extend the antisymmetrized geminal power (AGP) theory.
To incorporate up to four-body correlations in strongly correlated regions.
To develop a more efficient and accurate wave function theory.

Main Methods:

Rewriting total energy in terms of geminal traces for variational determination.
Applying a novel trace formula to a one-dimensional Hubbard ring model.
Developing a scheme to incorporate multi-body correlations.

Main Results:

The extended AGP theory significantly improves upon the AGP-configuration interaction scheme.
The new method achieves more efficient compression of wave function degrees of freedom.
Accurate modeling of a one-dimensional Hubbard ring with a strongly correlated site was demonstrated.

Conclusions:

The developed wave function theory offers a significant advancement for strongly correlated systems.
This work is a step towards first-principles wave function theory for embedded strongly correlated systems.
The method shows promise for applications in materials science and quantum chemistry.