ترغب بنشر مسار تعليمي؟ اضغط هنا

Determinantal Quantum Monte Carlo solver for Cluster Perturbation Theory

148   0   0.0 ( 0 )
 نشر من قبل Edwin Huang
 تاريخ النشر 2021
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

Cluster Perturbation Theory (CPT) is a technique for computing the spectral function of fermionic models with local interactions. By combining the solution of the model on a finite cluster with perturbation theory on intra-cluster hoppings, CPT provides access to single-particle properties with arbitrary momentum resolution while incurring low computational cost. Here, we introduce Determinantal Quantum Monte Carlo (DQMC) as a solver for CPT. Compared to the standard solver, exact diagonalization (ED), the DQMC solver reduces finite size effects through utilizing larger clusters, allows study of temperature dependence, and enables large-scale simulations of a greater set of models. We discuss the implementation of the DQMC solver for CPT and benchmark the CPT+DQMC method for the attractive and repulsive Hubbard models, showcasing its advantages over standard DQMC and CPT+ED simulations.



قيم البحث

اقرأ أيضاً

We present a non-iterative solver based on the Schur complement method for sparse linear systems of special form which appear in Quantum Monte-Carlo (QMC) simulations of strongly interacting fermions on the lattice. While the number of floating-point operations for this solver scales as the cube of the number of lattice sites, for practically relevant lattice sizes it is still significantly faster than iterative solvers such as the Conjugate Gradient method in the regime of strong inter-fermion interactions, for example, in the vicinity of quantum phase transitions. The speed-up is even more dramatic for the solution of multiple linear systems with different right-hand sides. We present benchmark results for QMC simulations of the tight-binding models on the hexagonal graphene lattice with on-site (Hubbard) and non-local (Coulomb) interactions, and demonstrate the potential for further speed-up using GPU.
In the present paper, we present an efficient continuous-time quantum Monte Carlo impurity solver with high acceptance rate at low temperature for multi-orbital quantum impurity models with general interaction. In this hybridization expansion impurit y solver, the imaginary time evolution operator for the high energy multiplets, which decays very rapidly with the imaginary time, is approximated by a probability normalized $delta$-function. As the result, the virtual charge fluctuations of $f^{n}rightarrow f^{npm1}$ are well included on the same footing without applying Schrieffer-Wolff transformation explicitly. As benchmarks, our algorithm perfectly reproduces the results for both Coqblin-Schriffeer and Kondo lattice models obtained by CT-J method developed by Otsuki {it et al}. Furthermore, it allows capturing low energy physics of heavy-fermion materials directly without fitting the exchange coupling $J$ in the Kondo model.
180 - S. Henning 2007
In this work we compare numerically exact Quantum Monte Carlo (QMC) calculations and Green function theory (GFT) calculations of thin ferromagnetic films including second order anisotropies. Thereby we concentrate on easy plane systems, i.e. systems for which the anisotropy favors a magnetization parallel to the film plane. We discuss these systems in perpendicular external field, i.e. B parallel to the film normal. GFT results are in good agreement with QMC for high enough fields and temperatures. Below a critical field or a critical temperature no collinear stable magnetization exists in GFT. On the other hand QMC gives finite magnetization even below those critical values. This indicates that there occurs a transition from non-collinear to collinear configurations with increasing field or temperature. For slightly tilted external fields a rotation of magnetization from out-of-plane to in-plane orientation is found with decreasing temperature.
We present an approach to the calculation of arbitrary spectral, thermal and excited state properties within the full configuration interaction quantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue p roblem into a space of stochastically sampled Krylov vectors, thus enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems.
The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two dimensional Holstein model are computed using determinant quantum Monte Carlo (DQMC), and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, $E_F$, which are still above the SC transition. We find that the SC susceptibility at low $T$ agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling $lambda_0 approx 0.4$ but deviates dramatically for larger $lambda_0$. We find that for large $lambda_0$ and small phonon frequency $omega_0 ll E_F$ CDW ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا