相关论文: Spin-flip pair-density functional theory: A practi…

We propose a new approach towards approximating the density-to-pair-density map based on copula theory from statistics. We extend the copula theory to multi-dimensional marginals, and deduce that one can describe any (exact or approximate)…

Pair densities and associated correlation functions provide a critical tool for introducing many-body correlations into a wide-range of effective theories. Ab initio calculations show that two-nucleon pair-densities exhibit strong spin and…

Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the…

Kinetic theory of dissipative particle dynamics is developed in terms of a Boltzmann pair collision theory. The kinetic transport coefficients are computed from explicit collision integrals and compared favourably with detailed simulations.…

We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…

Time-dependent density-functional theory (TDDFT) is a powerful tool to study the non-equilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the…

We develop an excited-state real-space renormalization group (RSRG-X) formalism to describe the dynamics of conserved densities in randomly interacting spin-$\frac{1}{2}$ systems. Our formalism is suitable for systems with $\textrm{U}(1)$…

In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…

Using a numerically exact technique we study spin transport and the evolution of spin-density excitation profiles in a disordered spin-chain with long-range interactions, decaying as a power-law, $r^{-\alpha}$ with distance and $\alpha<2$.…

We develop a strong coupling approach for a general lattice problem. We argue that this strong coupling perspective represents the natural framework for a generalization of the dynamical mean field theory (DMFT). The main result of this…

A general expansion scheme based on the concept of linked cluster expansion from the theory of classical spin systems is constructed for models of interacting electrons. It is shown that with a suitable variational formulation of mean-field…

I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well…

A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…

Due to the spin-orbital coupling in a semiconductor quantum dot, a freely precessing electron spin produces a time-dependent charge density. This creates a sizeable electric field outside the dot, leading to promising applications in…

The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…

Dualities between quantum field theories have proven to be a powerful tool in various areas of physics. In this paper, we introduce a new perspective for obtaining strong coupling expansions based on a well-known technique -- the…

For spins chains to be useful for quantum information processing tasks, the interaction between the spin chain and its environment generally needs to be suppressed. In this paper, we propose the use of strong static and oscillating control…

We characterize the dynamic non-equilibrium steady state behavior of active particles using density fluctuations in the system. We analyze the effective local density around a particle in the steady state and numerically calculate its mean,…

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

Interactions between the different degrees of freedom form the basis of many manifestations of intriguing physics in condensed matter. In this respect, quantifying the dynamics of normal modes that themselves arise from these interactions…