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Updated: May 21, 2026
06:42
Generation and Coherent Control of Pulsed Quantum Frequency Combs
Published on: June 8, 2018
Quantum continuum mechanics made simple.
Tim Gould1, Georg Jansen, I V Tokatly
1Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Queensland 4111, Australia.
The Journal of Chemical Physics
|June 7, 2012
Summary
This study simplifies quantum continuum mechanics (QCM) for practical applications. The simplified QCM accurately describes one-electron systems and offers insights into QCM approximations using Kohn-Sham equations.
Area of Science:
- Quantum mechanics
- Condensed matter physics
- Computational chemistry
Background:
- Quantum continuum mechanics (QCM) offers a theoretical framework for quantum systems.
- Existing QCM formulations can be complex for practical implementation.
- The Kohn-Sham (KS) approach is a widely used approximation in quantum chemistry.
Purpose of the Study:
- To simplify the quantum continuum mechanics (QCM) framework for enhanced practical usability.
- To provide a direct proof of QCM exactness for one-electron systems.
- To explore QCM approximations based on Kohn-Sham (KS) wavefunctions.
Main Methods:
- Simplification of the non-interacting part of QCM equations.
- Orthonormal formulation for proving exactness in one-electron systems.
- Approximation of the ground-state stress tensor using the KS version.
Main Results:
- Demonstrated exactness of simplified QCM for one-electron systems.
- Provided insights into physical considerations and approximations within QCM.
- Developed a QCM approximation based on KS wavefunctions, relating KS orbital transitions to QCM approximations.
- Semianalytical demonstration on an example system.
Conclusions:
- The simplified QCM is exact for one-electron systems and offers a more practical approach.
- The study clarifies the relationship between KS orbitals and QCM approximations.
- The developed QCM approximation shows promise for computational applications.
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