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Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique.
Kai Guther1, Werner Dobrautz1, Olle Gunnarsson1
1Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany.
Physical Review Letters
|August 18, 2018
Summary
We developed a new stochastic method to solve the time-dependent Schrödinger equation, enabling accurate ab initio electron spectra calculations for complex quantum systems.
Area of Science:
- Quantum mechanics
- Computational physics
- Many-body systems
Background:
- Solving the time-dependent Schrödinger equation is crucial for understanding quantum systems.
- Traditional methods struggle with strongly correlated systems.
- Full configuration interaction quantum Monte Carlo (FCIQMC) is effective for ground states.
Purpose of the Study:
- To present a novel stochastic method for solving the time-dependent Schrödinger equation.
- To enable efficient ab initio calculations of electron spectra for strongly correlated systems.
- To generalize existing ground state FCIQMC methods.
Main Methods:
- A stochastic approach is employed, generalizing ground state FCIQMC.
- Time integration is performed in the complex plane near the real-time axis.
- This facilitates efficient analytic continuation to real frequencies.
Main Results:
- The method allows for manageable numerical effort.
- Efficient analytic continuation to real frequencies is achieved.
- Ab initio electron spectra for strongly correlated systems can be calculated.
Conclusions:
- The presented stochastic method offers an efficient way to solve the time-dependent Schrödinger equation.
- It is suitable for calculating electron spectra in strongly correlated systems.
- The method can serve as a cluster solver in embedding schemes.
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