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Production and Targeting of Monovalent Quantum Dots

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Published on: October 23, 2014

Thermofield theory for finite-temperature quantum chemistry.

Gaurav Harsha¹, Thomas M Henderson¹, Gustavo E Scuseria¹

¹Department of Physics and Astronomy, Rice University, Houston, Texas 77005-1892, USA.

The Journal of Chemical Physics

|April 22, 2019

Summary

Thermofield dynamics offers a powerful approach for studying the thermal properties of electronic systems. This research introduces new methods for applying this theory to physics and chemistry problems.

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Area of Science:

Quantum physics
Condensed matter physics
Physical chemistry

Background:

Thermofield dynamics is a valuable tool in high-energy physics for handling time- and temperature-dependent phenomena.
Its potential for investigating thermal properties of electronic systems in physics and chemistry remains largely unexplored.

Purpose of the Study:

To establish a general framework for finite temperature correlated wave function methods.
To introduce and evaluate two novel approaches, fixed-reference and covariant methods, for solving the imaginary time Schrödinger equation.

Main Methods:

Development of a general framework for finite temperature correlated wave function methods.
Implementation of fixed-reference and covariant methods based on the imaginary time Schrödinger equation.
Application to the Hubbard model using thermal configuration interaction theory.

Main Results:

The study demonstrates the applicability of thermofield dynamics to electronic systems.
Comparison of fixed-reference and covariant methods applied to the Hubbard model.
Validation of the derived methods against exact benchmark results.

Conclusions:

Thermofield dynamics provides a robust theoretical foundation for studying thermal properties of electronic systems.
The proposed fixed-reference and covariant methods offer effective computational strategies.
This work bridges high-energy physics theory with condensed matter and chemical physics applications.