التفاصيل البيبلوغرافية
| العنوان: |
Steady-state properties of multi-orbital systems using quantum Monte Carlo. |
| المؤلفون: |
Erpenbeck, A., Blommel, T., Zhang, L., Lin, W.-T., Cohen, G., Gull, E. |
| المصدر: |
Journal of Chemical Physics; 9/7/2024, Vol. 161 Issue 9, p1-14, 14p |
| مصطلحات موضوعية: |
DEGREES of freedom, SIMULATION methods & models, EQUILIBRIUM |
| مستخلص: |
A precise dynamical characterization of quantum impurity models with multiple interacting orbitals is challenging. In quantum Monte Carlo methods, this is embodied by sign problems. A dynamical sign problem makes it exponentially difficult to simulate long times. A multi-orbital sign problem generally results in a prohibitive computational cost for systems with multiple impurity degrees of freedom even in static equilibrium calculations. Here, we present a numerically exact inchworm method that simultaneously alleviates both sign problems, enabling simulation of multi-orbital systems directly in the equilibrium or nonequilibrium steady-state. The method combines ideas from the recently developed steady-state inchworm Monte Carlo framework [Erpenbeck et al., Phys. Rev. Lett. 130, 186301 (2023)] with other ideas from the equilibrium multi-orbital inchworm algorithm [Eidelstein et al., Phys. Rev. Lett. 124, 206405 (2020)]. We verify our method by comparison with analytical limits and numerical results from previous methods. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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