Related papers: Automatic State Interaction with Large Localized A…
I derive a loop representation for the canonical and grand-canonical partition functions for an interacting four-component Fermi gas in one spatial dimension and an arbitrary external potential. The representation is free of the "sign…
We propose a general approach to analyse diagonal ordering patterns in bosonic lattice models with algebraically decaying density-density interactions on arbitrary lattices. The key idea is a systematic search for the energetically best…
We present a novel method for fluid structure interaction (FSI) simulations where an original 2nd-order curved space lattice Boltzmann fluid solver (LBM) is coupled to a finite element method (FEM) for thin shells. The LBM can work…
State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and…
We construct an electrical all-bands-flat (ABF) lattice and experimentally generate compact localized states (CLSs) therein. The lattice is a diamond (rhombic) chain and implemented as a network of capacitors and inductors, as well as…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…
Physical systems with co-existence and interplay of processes featuring distinct spatio-temporal scales are found in various research areas ranging from studies of brain activity to astrophysics. Complexity of such systems makes their…
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024…
Ladder models of ultracold atoms offer a versatile platform for the experimental and theoretical study of different phenomena and phases of matter linked to the interplay between artificial gauge fields and interactions. Strongly correlated…
A unified fluid-structure interaction (FSI) formulation is presented for solid, liquid and mixed membranes. Nonlinear finite elements (FE) and the generalized-alpha scheme are used for the spatial and temporal discretization. The membrane…
The relative stability of a localized and delocalized electronic state in the same molecule, the N,N' -Dimethylpiperazine cation, is calculated at various levels of theory up to multireference configuration interaction (MRCI+Q). This system…
The emergence of scanning probe and electron beam imaging techniques have allowed quantitative studies of atomic structure and minute details of electronic and vibrational structure on the level of individual atomic units. These microscopic…
We experimentally demonstrate the broad tunability of the main features of optical localized structures (LS) in a nonlinear interferometer. By discussing how a single LS depends on the system spatial frequency bandwidth, we show that a…
For one-dimensional systems with delta-contact interactions, the convergence of the exact-diagonalization method is tested with a basis of harmonic oscillator eigenfunctions with frequency $\Omega$ optimized through the minimization of the…
Simulating entangled atoms is a prerequisite to modeling quantum materials and remains an outstanding challenge for theory. I introduce a correlated wavefunction approach capable of simulating large entangled systems, and demonstrate its…
The configuration interaction (CI) is a versatile wavefunction theory for interacting fermions but it involves an extremely long CI series. Using a symmetric tensor decomposition (STD) method, we convert the CI series into a compact and…
We simulate the collective dynamics in spin lattices with long range interactions and collective decay in one, two and three dimensions. Starting from a dynamical mean-field approach derived by local factorization of the density operator we…
We introduce a new method, which we call stochastic fusion, which takes an exclusion process and constructs an interacting particle systems in which more than one particle may occupy a lattice site. The construction only requires the…
The possibility of observing phenomena peculiar to long-range interactions, and more specifically in the so-called Quasi-Stationary State (QSS) regime is investigated within the framework of two devices, namely the Free-Electron Laser (FEL)…