Related papers: Compactifying Electronic Wavefunctions I: Error-Mi…
We use the adaptive time-dependent density matrix renormalization group method (t-DMRG) to study the nonequilibrium dynamics of a benchmark quantum impurity system which has a time-dependent Hamiltonian. This model is a resonant-level…
We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a…
Achieving chemical accuracy for strongly correlated molecules is a defining milestone for first-generation, fault-tolerant quantum computers, yet the factorial growth of three, four, and six-index tensor contractions in coupled-cluster…
An iterative coupling algorithm based on restricted additive Schwarz domain decomposition is investigated to co-simulate electrical circuits with hybrid electromagnetic (EMT) and transient stability (TS) modeled using dynamic phasors. This…
We demonstrate the emergence of a holographic dimension in a system of 2D non-interacting Dirac fermions placed on a torus, by studying the scaling of multipartite entanglement measures under a sequence of renormalisation group (RG)…
We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…
Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…
A modified density matrix renormalization group (DMRG) algorithm is applied to the zigzag spin-1/2 chain with frustrated antiferromagnetic exchange $J_1$, $J_2$ between first and second neighbors. The modified algorithm yields accurate…
A Gaussian operator representation for the many body density matrix of fermionic systems, developed by Corney and Drummond [Phys. Rev. Lett, v93, 260401 (2004)], is used to derive approximate decoupling schemes for their dynamics. In this…
We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz,…
The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this…
In this work we present an extension of the popular selected configuration interaction (SCI) algorithms to the Transcorrelated (TC) framework. Although we used in this work the recently introduced one-parameter correlation factor [E. Giner,…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…
We introduce a Hamiltonian Monte Carlo (HMC) methodology based on a randomized selection of integration times, referred to as eHMC, where "e" stands for empirical. The approach relies on an offline calibration phase that leverages…
The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…
The recent introduction of a deformed non-minimal version of the noncommutative Standard Model in the enveloping-algebra approach, having a one-loop renormalisable gauge sector involving a higher order gauge term, motivates us to consider…
We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltonian, including the inter-electronic potential, can be…
We have studied quantum data compression for finite quantum systems where the site density matrices are not independent, i.e., the density matrix cannot be given as direct product of site density matrices and the von Neumann entropy is not…
We extend the symmetrized density matrix renormalization group (SDMRG) method to compute the dynamic nonlinear optic coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace we obtain the dynamic…