Related papers: Dynamical configuration interaction: Quantum embed…
We introduce kinetically constrained superradiance, a form of cooperative emission in which interactions imprint configuration-dependent energy shifts on optical transitions, splitting Dicke superradiance into multiple, frequency-resolved…
We present a stable and systematically improvable quantum Monte Carlo (QMC) approach to calculating excited-state energies, which we implement using our fast randomized iteration method for the full configuration interaction problem…
We propose a configuration-interaction (CI) representation to calculate induced nuclear fission with explicit inclusion of nucleon-nucleon interactions in the Hamiltonian. The framework is designed for easy modeling of schematic…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
The in-in formalism and its influence functional generalization are widely used to describe the out-of-equilibrium dynamics of unitary and open quantum systems, respectively. In this paper, we build on these techniques to develop an…
Non-reciprocal propagation of energy and information is fundamental to a wide range of quantum technology applications. In this work, we explore the quantum many-body dynamics of a qubit ensemble coupled to a shared bath that mediates…
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large…
Selected configuration interaction (sCI) methods including second-order perturbative corrections provide near full CI (FCI) quality energies with only a small fraction of the determinants of the FCI space. Here, we introduce both a…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
In many situations, one can approximate the behavior of a quantum system, i.e. a wave function subject to a partial differential equation, by effective classical equations which are ordinary differential equations. A general method and…
We employ various quantum-mechanical approaches for studying the impact of electric fields on both nonretarded and retarded noncovalent interactions between atoms or molecules. To this end, we apply perturbative and non-perturbative methods…
We review the recent advances on exact results for dynamical correlation functions at large scales and related transport coefficients in interacting integrable models. We discuss Drude weights, conductivity and diffusion constants, as well…
We introduce an alternative way to understand the decomposition of a quantum system into interacting parts and show that it is natural in several physical models. This enables us to define a reduced density operator for a working system…
We investigate configuration-interaction (CI) calculations on a basis of molecular orbitals generated by preliminary density-functional theory (DFT) calculations. We use this CI/DFT framework to improve the modeling of core-excited states…
We present a new high-performance configuration interaction code optimally designed for the calculation of the lowest energy eigenstates of a few electrons in semiconductor quantum dots (also called artificial atoms) in the strong…
We present a detailed study of the real-time dynamics and spectral properties of the one-dimensional fermionic Hubbard model at infinite temperature. Using tensor network simulations in Liouville space, we compute the single-particle…
Perturbation theory using self-consistent Green's functions is one of the most widely used approaches to study many-body effects in condensed matter. On the basis of general considerations and by performing analytical calculations for the…
Dynamical decoupling techniques constitute an integral part of many quantum sensing platforms, often leading to orders-of-magnitude improvements in coherence time and sensitivity. Most AC sensing sequences involve a periodic echo-like…
Methods for correcting residual energy errors of configuration interaction (CI) calculations of molecules and other electronic systems are discussed based on the assumption that the energy defect can be mapped onto atomic regions. The…
We investigate the dynamical correlation function of a quantum-mechanical two-state system which is coupled to a bosonic heat bath, utilizing the equivalence between the spin-boson Hamiltonian and the 1/r^2 Ising model. The imaginary-time…