Mario Motta — Università di Milano #
Dynamical response functions of the 2D electron gas from Auxiliary Fields Quantum Monte Carlo calculations #
Quantum Monte Carlo (QMC) simulations of many body fermionic
systems are considerably complicated by the well known sign problem [1]. Although very accurate approximation
schemes have been developed for the calculation of static properties, the possibility of extending such
methodologies to the investigation of dynamical properties is still largely unexplored [2]. Recently, a number
of innovative QMC methods have been conceived, which map the imaginary time evolution into a random walk in the
manifold of Slater determinants. In such methods the sign problem emerges in a different form, and can be
treated introducing approximations that are more likely to permit the study of excited states [5]. We have
focused on the phaseless auxiliary Fields QMC method (AFQMC), developed by S. Zhang [3]. Generalizing the formal
manipulations suggested by F. Assaad et al. [4], we propose a practical scheme to evaluate dynamic correlation
functions in imaginary time, giving access to the response functions of interacting fermionic systems. We assess
the accuracy of the methodology via the study of exactly solvable simple models, comparing AFQMC predictions
with exact solutions [5]. We also compute the imaginary time correlation functions and the effective mass of the
two-dimensional homogeneous electron gas in the high-density regime, providing comparison between AFQMC and
recent experimental data [6].
REFERENCES:
[1] R.P. Feynman, A.R. Hibbs, Quantum Mechanics and Path Integrals, McGraw-Hill (1965)
[2] M. Nava, D. Galli, S. Moroni and E. Vitali: arXiv:1302.1799 (2013)
[3] S. Zhang: 'Quantum Monte Carlo Methods for Strongly Correlated Electron Systems',
in Theoretical Methods for Strongly Correlated Electron Systems, Springer Verlag (2003)
[4] M. Feldbacher and F. F. Assaad: Phys. Rev. B 63, 073105 (2001)
[5] M. Motta, D.E. Galli, S. Moroni and E. Vitali, J Chem Phys. 140, 024107 (2014)
[6] M. Motta, D.E. Galli, S. Moroni and E. Vitali, in preparation