Related papers: Effective temperature in approximate quantum many-…
Evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter and…
Density functional theory has made great success in solid state physics, quantum chemistry and in computational material sciences. In this work we show that density functional theory could shed light on phase transitions and entanglement at…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…
In this work we study the properties of dissipatively stabilized steady states of noisy quantum algorithms, exploring the extent to which they can be well approximated as thermal distributions, and proposing methods to extract the effective…
Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…
Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…
We address the dephasing dynamics of the quantum Fisher information (QFI) for the process of quantum thermometry with probes coupled to squeezed thermal baths via the nondemolition interaction. We also calculate the upper bound for the…
Solving the time-dependent quantum many-body Schr\"odinger equation is a challenging task, especially for states at a finite temperature, where the environment affects the dynamics. Most existing approximating methods are designed to…
We propose a theory based on simple physical arguments that describes a non equilibrium steady-state by a temperature-like parameter (an "effective temperature"). We show how one can predict the effective temperature as a function of the…
In this work, we present a compact analytical approximation for the quantum partition function of systems composed of quantum oscillators. The proposed formula is general and applicable to an arbitrary number of oscillators described by a…
We investigate how the temperature calculated from the microcanonical entropy compares with the canonical temperature for finite isolated quantum systems. We concentrate on systems with sizes that make them accessible to numerical exact…
Creating stable superposed states of matter is one of the most intriguing aspects of quantum physics, leading to a variety of counter-intuitive scenarios along with a possibility of restructuring the way we understand, process and…
We introduce a classical algorithm to approximate the free energy of local, translation-invariant, one-dimensional quantum systems in the thermodynamic limit of infinite chain size. While the ground state problem (i.e., the free energy at…
In this article, we present an emerging field of quantum chemistry at finite temperature. We discuss its recent developments on both theoretical and experimental fronts.We describe and analyze several experimental investigations related to…
We study the thermal and non-thermal steady state scaling functions and the steady-state dynamics of a model of local quantum criticality. The model we consider, i.e. the pseudogap Kondo model, allows us to study the concept of effective…
We consider blocks of quantum spins in a chain at thermal equilibrium, focusing on their properties from a thermodynamical perspective. Whereas in classical systems the temperature behaves as an intensive magnitude, a deviation from this…
Probing correlated states of many-body systems is one of the central tasks for quantum simulators and processors. A promising approach to state preparation is to realize desired correlated states as steady states of engineered dissipative…
Thermodynamics of quantum systems out-of-equilibrium is very important for the progress of quantum technologies, however, the effects of many body interactions and their interplay with temperature, different drives and dynamical regimes is…