Related papers: Automatic State Interaction with Large Localized A…
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…
We present the time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory as a new framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock…
We present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method's performance for Ne, H$_2$O, and N$_2$. The initiator…
This paper extends the inverse substructuring (IS) approach to the state-space domain and presents a novel state-space substructuring (SSS) technique that embeds the dynamics of connecting elements (CEs) in the Lagrange Multiplier…
Current Non-Orthogonal Configuration Interaction (NOCI) methods often use a set of Self-Consistent Field (SCF) states selected based on chemical intuition. However, it may be challenging to track these SCF states across a dissociation…
We have obtained the exact ground state wave functions of the Anderson-Hubbard model for different electron fillings on a 4x4 lattice with periodic boundary conditions - for 1/2 filling such ground states have roughly 166 million states.…
For a classical system with long-range interactions, a soft mode exists whenever a stationary state spontaneously breaks a continuous symmetry of the Hamiltonian. Besides that, if the corresponding coordinate associated to the symmetry…
We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…
The near-field interaction due to a strong electromagnetic field induced by resonant localized plasmons can result in a strong coupling of excitonic states or formation of hybrid exciton-plasmon modes in quantum confined structures. This…
We explore the ground states of strongly interacting bosons in the vanishingly small and weak lattices using the multiconfiguration time-dependent Hartree method for bosons (MCTDHB) which calculate numerically exact many-body wave function.…
The spin-half Heisenberg antiferromagnet (HAF) on the square and triangular lattices is studied using the coupled cluster method (CCM) technique of quantum many-body theory. The phase relations between different expansion coefficients of…
The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained (in part) from momentum space. Recently, Real Space…
This paper investigates the susceptibility of Integrated Sensing and Communication (ISAC) systems to hostile jamming, focusing on an aerial Reconfigurable Holographic Surface (RHS)-aided unmanned aerial vehicle (UAV). The proposed…
Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts (3-state) models is analysed in selected spatial structures. The states are treated as graph nodes, connected by one-spin-flip transitions. The spatial…
The interplay between interactions and topology in quantum materials is of extensive current interest. Strong correlations are known to be important for insulating topological states, as exemplified by the fractional quantum Hall effect.…
A novel combined unitary and symmetric group approach is used to study the spin-$\frac{1}{2}$ Heisenberg model and related Fermionic systems in a spin-adapted representation, using a linearly-parameterised Ansatz for the many-body wave…
The ground state energy and pairing gap of the interacting Fermi gases calculated by the {\it ab initio} stochastic method are compared with those estimated from the Bardeen-Cooper-Schrieffer pairing Hamiltonian. We discuss the ingredients…
We study the ground-state properties of trapped inhomogeneous systems of hardcore bosons in two- and three-dimensional lattices. We obtain our results both numerically, using quantum Monte Carlo techniques, and via several analytical…
We investigate few-boson systems in finite one-dimensional multi-well traps covering the full interaction crossover from uncorrelated to fermionized particles. Our treatment of the ground state properties is based on the numerically exact…