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The strong boundary normalized condition of wavefunction for fully occupied semicore 3d orbitals leads the linear response DFT+U on such metal oxide to have an insurmountable obstacle in Hubbard U determination. We treated the orbital…
A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…
We obtain the law of large numbers (LLN) and the central limit theorem (CLT) for weakly dependent non-stationary arrays of random fields with asymptotically unbounded moments. The weak dependence condition for arrays of random fields is…
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…
A rigorous formulation of time-dependent current density functional theory (TDCDFT) on a lattice is presented. The density-to-potential mapping and the ${\cal V}$-representability problems are reduced to a solution of a certain nonlinear…
We present a scheme for investigating arbitrary thermal observables in spatially inhomogeneous equilibrium many-body systems. Extending the grand canonical ensemble yields any given observable as an explicit hyper-density functional.…
In local effective potential theories of electronic structure, the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and correlation-kinetic effects, are all incorporated in the local electron-interaction…
Dynamic properties of fermionic systems, like contollability, reachability, and simulability, are investigated in a general Lie-theoretical frame for quantum systems theory. Observing the parity superselection rule, we treat the fully…
We prove a local central limit theorem (LCLT) for the number of points $N(J)$ in a region $J$ in $\mathbb R^d$ specified by a determinantal point process with an Hermitian kernel. The only assumption is that the variance of $N(J)$ tends to…
In this work, we show in pedagogical detail that the most singular contributions to the slow part of the asymptotic density-density correlation function of Luttinger liquids with fermions interacting mutually with only short-range forward…
Density matrix embedding theory (DMET) is a powerful quantum embedding method for solving strongly correlated quantum systems. Theoretically, the performance of a quantum embedding method should be limited by the computational cost of the…
Semilocal density functional theory is the most used computational method for electronic structure calculations in theoretical solid-state physics and quantum chemistry of large systems, providing good accuracy with a very attractive…
We present a unitary framework for dissipative quantum dynamics that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators that emulate frictional forces while strictly preserving the…
We compute the fermion spin distribution in the vortical fluid created in off-central high-energy heavy-ion collisions. We employ the event-by-event (3+1)D viscous hydrodynamic model. The spin polarization density is proportional to the…
The virial theorem is considered for a system of randomly moving particles that are tightly bound to each other by the gravitational and electromagnetic fields, acceleration field and pressure field. The kinetic energy of the particles of…
Frequency sum rules are derived in extended quantum systems of non relativistic fermions from a minimal set of assumptions on dynamics in infinite volume, for ground and thermal states invariant under space translations or a lattice…
Small oscillations of an elastic system of point masses (particles) with a nonlocal interaction are considered. We study the asymptotic behavior of the system, when number of particles tends to infinity, and the distances between them and…
Fundamental measure theory (FMT) for hard particles has great potential for predicting the phase behavior of colloidal and nanometric shapes. The modern versions of FMT are usually derived from the zero-dimensional limit, a system of at…
This article studies the N-vortex problem in the plane with positive vorticities. After an investigation of some properties for normalised relative equilibria of the system, we use symplectic capacity theory to show that, there exist…
It has been proposed that the coherent propagation of long-lived heavy neutrino mass eigenstates can lead to an oscillating rate of lepton number conserving (LNC) and violating (LNV) events, as a function of the distance between the…