Related papers: Finite temperature electronic simulations beyond t…
We describe a novel method to obtain thermodynamic properties of quantum systems using Baysian Inference -- Maximum Entropy techniques. The method is applicable to energy values sampled at a discrete set of temperatures from Quantum Monte…
Applying the thermo field dynamics, we reformulate exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulae are derived for the simultaneous projection of particle number and angular…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
The computation of free energies is a common issue in statistical physics. A natural technique to compute such high dimensional integrals is to resort to Monte Carlo simulations. However these techniques generally suffer from a high…
The paper is a continuation of our previous work on the spatially homogeneous Boltzmann equation for Bose-Einstein particles with quantum collision kernel that includes the hard sphere model. Solutions $F_t$ under consideration that…
A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas,…
We study finite temperature properties of metals close to an Ising-nematic quantum critical point in two spatial dimensions. In particular we show that at any finite temperature there is a regime where order parameter fluctuations are…
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…
Residual entropy, which reflects the degrees of freedom in a system at absolute zero temperature, is crucial for understanding quantum and classical ground states. Despite its key role in explaining low-temperature phenomena and ground…
We introduce the Friedrichs model at finite temperature which is one- and zero-particle restriction of spin-boson in the rotating wave approximation and obtain the population of the excited state for this model. We also consider the…
In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…
We study the thermodynamics of short-range interacting, two-dimensional bosons constrained to the lowest Landau level. When the temperature is higher than other energy scales of the problem, the partition function reduces to a…
We propose a novel wave function partitioning method that integrates deep-learning variational Monte Carlo with ans\"atze based on generalized product functions. This approach effectively separates electronic wave functions (WFs) into…
By using exact Path Integral Monte Carlo methods we calculate the equation of state of an interacting Bose gas as a function of temperature both below and above the superfluid transition. The universal character of the equation of state for…
The dielectric response and structural properties of finite-temperature electron liquids are central to accurately describing the physical behavior of electronic systems. This study presents a robust analytical model for the static…
The theoretical description of trapped weakly-interacting Bose-Einstein condensates is characterized by a large number of seemingly very different approaches which have been developed over the course of time by researchers with very…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…
The formulation for zero mode of a Bose-Einstein condensate beyond the Bogoliubov approximation at zero temperature [Y.Nakamura et al., Phys. Rev. A 89, 013613 (2014)] is extended to finite temperature. Both thermal and quantum fluctuations…
Simulating thermal-equilibrium properties at finite temperature is crucial for studying quantum many-body systems. Quantum computers are expected to enable us to simulate large systems at finite temperatures, overcoming challenges faced by…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…