Related papers: A gradient flow model for ground state calculation…
Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We investigate the Weighted Energy-Dissipation variational approach to semilinear gradient flows with state-dependent dissipation. A family of parameter-dependent functionals defined over entire trajectories is introduced and proved to…
We study the Wigner function for a quantum system with a discrete, infinite dimensional Hilbert space, such as a spinless particle moving on a one dimensional infinite lattice. We discuss the peculiarities of this scenario and of the…
The Energy Density Functional theory is one of the most used methods developed in nuclear structure. It is based on the assumption that the energy of the ground state is a functional only of the density profile. The method is extremely…
We develop a method of simulating the full quantum field dynamics of multi-mode multi-component Bose-Einstein condensates in a trap. We use the truncated Wigner representation to obtain a probabilistic theory that can be sampled. This…
To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…
Emerging sampling algorithms based on normalizing flows have the potential to solve ergodicity problems in lattice calculations. Furthermore, it has been noted that flows can be used to compute thermodynamic quantities which are difficult…
We propose the tensorizing flow method for estimating high-dimensional probability density functions from the observed data. The method is based on tensor-train and flow-based generative modeling. Our method first efficiently constructs an…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
Quantum mechanics can be formulated in terms of phase-space functions, according to Wigner's approach. A generalization of this approach consists in replacing the density operators of the standard formulation with suitable functions, the…
We formulate a new ``Wigner characteristics'' based method to calculate entanglement entropies of subsystems of Fermions using Keldysh field theory. This bypasses the requirements of working with complicated manifolds for calculating…
We present the fundamental techniques and working equations of many-body Green's function theory for calculating ground state properties and the spectral strength. Green's function methods closely relate to other polynomial scaling…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
We determine the form of the Wigner functional for several types of quantum free field theories in order to analyze the representation of QFT in phase space, as well as to compare it to other mainstream formulations. We use Jackiw's…
Finite-volume numerical method for study shallow water flows over an arbitrary bed profile in the presence of external force is proposed. This method uses the quasi-two-layer model of hydrodynamic flows over a stepwise boundary with…
We apply pseudo-spectral methods to integrate functional flow equations with high accuracy, extending earlier work on functional fixed point equations \cite{Borchardt:2015rxa}. The advantages of our method are illustrated with the help of…
Phase-space representations based on coherent states (P, Q, Wigner) have been successful in the creation of stochastic differential equations (SDEs) for the efficient stochastic simulation of high dimensional quantum systems. However many…
Wigner-positive quantum states have the peculiarity to admit a Wigner function that is a genuine probability distribution over phase space. The Shannon differential entropy of the Wigner function of such states -- called Wigner entropy for…
CConsider a bipartite quantum system consisting of two subsystems A and B. The reduced density matrix ofA a is obtained by taking the partial trace with respect to B. In this work, we will show that the Wigner distribution of this reduced…