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We investigate the use of different variational principles in quantum Monte Carlo, namely energy and variance minimization, prompted by the interest in the robust and accurate estimate of electronic excited states. For two prototypical,…

Chemical Physics · Physics 2021-11-19 Alice Cuzzocrea , Anthony Scemama , Wim J. Briels , Saverio Moroni , Claudia Filippi

We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a…

Strongly Correlated Electrons · Physics 2018-12-24 Nick S. Blunt , Eric Neuscamman

We present a simple and efficient method to optimize within energy minimization the determinantal component of the many-body wave functions commonly used in quantum Monte Carlo calculations. The approach obtains the optimal wave function as…

Other Condensed Matter · Physics 2009-11-11 Anthony Scemama , Claudia Filippi

We present a new quantum Monte Carlo algorithm suitable for generically complex problems, such as systems coupled to external magnetic fields or anyons in two spatial dimensions. We find that the choice of gauge plays a nontrivial role, and…

Condensed Matter · Physics 2009-10-22 Lizeng Zhang , Geoff Canright , Ted Barnes

We present a new method for extracting excited states from a single two-point correlation function calculated on the lattice. Our method simply combines the correlation function evaluated at different time slices so as to ``subtract'' the…

High Energy Physics - Lattice · Physics 2009-11-10 D. Guadagnoli , M. Papinutto , S. Simula

The calculation of quantum canonical time correlation functions is considered in this paper. Transport properties, such as diffusion and reaction rate coefficients, can be determined from time integrals of these correlation functions.…

Other Condensed Matter · Physics 2010-11-17 Ali Nassimi , Raymond Kapral

The paradigm of extracting work from isolated quantum system through a cyclic Hamiltonian process is a topic of immense research interest. The optimal work extracted under such process is termed as ergotropy [Europhys. Lett., 67 (4),…

Quantum Physics · Physics 2016-06-08 Amit Mukherjee , Arup Roy , Some Sankar Bhattacharya , Manik Banik

We present a numerically efficient method for the characterisation of a quantum process subject to dissipation and noise. The master equation evolution of a maximally entangled state of the quantum system and a non-evolving ancilla system…

Quantum Physics · Physics 2013-12-04 Jake Gulliksen , D. D. Bhaktavatsala Rao , Klaus Mølmer

Monte Carlo methods play a central role in particle physics, where they are indispensable for simulating scattering processes, modeling detector responses, and performing multi-dimensional integrals. However, traditional Monte Carlo methods…

Quantum Physics · Physics 2025-10-14 Heechan Yi , Kayoung Ban , Myeonghun Park , Kyoungchul Kong

Information and correlations in a quantum system are closely related through the process of measurement. We explore such relation in a many-body quantum setting, effectively bridging between quantum metrology and condensed matter physics.…

Quantum Physics · Physics 2012-06-20 Luigi Amico , Davide Rossini , Alioscia Hamma , Vladimir E. Korepin

Complete information on the equilibrium behaviour and dynamics of a quantum field theory (QFT) is provided by multipoint correlation functions. However, their theoretical calculation is a challenging problem, even for exactly solvable…

Statistical Mechanics · Physics 2018-09-19 Ivan Kukuljan , Spyros Sotiriadis , Gabor Takacs

We study coupled quantum systems as the working media of thermodynamic machines. Under a suitable phase-space transformation, the coupled systems can be expressed as a composition of independent subsystems. We find that for the coupled…

Quantum Physics · Physics 2017-09-12 George Thomas , Manik Banik , Sibasish Ghosh

Numerical studies of quantum field theories usually rely upon an accurate determination of stochastically estimated correlation functions in order to extract information about the spectrum of the theory and matrix elements of operators. The…

High Energy Physics - Lattice · Physics 2014-09-22 William Detmold , Michael G. Endres

We present in detail the recently developed multi-configurational symmetrized projector quantum Monte Carlo (MSPQMC) method for excited states of the Hubbard model. We describe the implementation of the Monte Carlo method for a…

Condensed Matter · Physics 2009-10-28 Bhargavi Srinivasan , S. Ramasesha , H. R. Krishnamurthy

How can we characterize different types of correlation between quantum systems? Since correlations cannot be generated locally, we take any real function of a multipartite state which cannot increase under local operations to measure a…

Quantum Physics · Physics 2020-07-27 Joshua Levin , Graeme Smith

We investigate how the presence of quantum correlations can influence work extraction in closed quantum systems, establishing a new link between the field of quantum non-equilibrium thermodynamics and the one of quantum information theory.…

Quantum Physics · Physics 2017-11-17 Gianluca Francica , John Goold , Mauro Paternostro , Francesco Plastina

For the precise estimation of the unknown quantum state, the independent samples should be prepared. Can we reduce the error of the estimation by the measurement using the quantum correlation between every sample? In this paper, this…

Quantum Physics · Physics 2007-05-23 Masahito Hayashi

We show how detailed properties of a kink in quantum field theory can be extracted from field correlation functions. This makes it possible to study quantum kinks in a fully non-perturbative way using Monte Carlo simulations. We demonstrate…

High Energy Physics - Lattice · Physics 2010-12-09 Arttu Rajantie , David J. Weir

Monte Carlo techniques have been widely employed in statistical physics as well as in quantum theory in the Lagrangian formulation. However, in the conventional approach, it is extremely difficult to compute the excited states. Here we…

Quantum Physics · Physics 2009-11-07 X. Q. Luo , H. Jirari , H. Kroger , K. Moriarty

We use Monte Carlo simulations to measure the spin-spin correlation function in the disordered phase of two-dimensional $q$-state Potts models with $q=10,15$, and $20$ at the first-order transition point $\beta_t$. To extract the…

High Energy Physics - Lattice · Physics 2009-10-22 Wolfhard Janke , Stefan Kappler