Related papers: Compactification of Determinant Expansions via Tra…
Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…
A fundamental roadblock to the exact numerical solution of many-fermion problems is the exponential growth of the Hilbert space with system size. It manifests as extreme dynamical memory and computation-time requirements for simulating…
The paper is devoted to the effects of superconducting pairing in small metallic grains. It turns out that at strong superconducting coupling and in the limit of large Thouless conductance one can explicitly determine the low energy…
In this Communication, we provide numerical evidence indicating that the standard single-reference coupled-cluster (CC) energies can be calculated alternatively to its copybook definition. We demonstrate that the CC energies can be…
A method of cluster diagonalization in a systematically expanded Hilbert space is described. We discuss some applications of this procedure to models of high-T_c superconductors, like the t - J and one and three bands Hubbard models in two…
Dramatically different from the Hermitian systems, the conventional Bulk-Boundary Correspondence (BBC) is broken in the non-Hermitian systems. In this article, we use edge entanglement entropy to characterize the topological properties of…
The efficient preparation of scalable multipartite entanglement is a central goal in the development of next-generation quantum devices. In this work, we show that the so-called ``twist-and-turn" (TaT) dynamics for interacting spin…
Doubly occupied configuration interaction (DOCI), the exact diagonalization of the Hamiltonian in the paired (seniority zero) sector of the Hilbert space, is a combinatorial cost wave function that can be very efficiently approximated by…
In this work, we present the first implementation of the transcorrelated electronic Hamiltonian in an optimization procedure for matrix product states by the density matrix renormalization group (DMRG) algorithm. In the transcorrelation…
The convergence of full configuration interaction quantum Monte Carlo (FCIQMC) is accelerated using a quasi-Newton propagation (QN) which can also be applied to coupled cluster Monte Carlo (CCMC). The computational scaling of this optimised…
Compressive sensing (CS) combines data acquisition with compression coding to reduce the number of measurements required to reconstruct a sparse signal. In optics, this usually takes the form of projecting the field onto sequences of random…
Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…
The recently developed Doubles Connected Moments (DCM) expansion offers a tractable approach for computing correlation energy, exhibiting an noniterative O(N^6) scaling with system size N. Benchmark calculations on a set of molecules…
Using the observed proportionality of CCSD(T) and MP2 correlation interaction energies [I. Grabowski, E. Fabiano, F. Della Sala, Phys. Chem. Chem. Phys. 15, 15485 (2013)] we propose a simple scaling procedure to compute accurate interaction…
Reliable processing of quantum information for developing quantum technologies requires precise control of out-of-equilibrium many-bodysystems. This is a highly challenging task as the fragility of quantum states to external perturbations…
We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry methods such as initiator full configuration interaction…
The Configuration Interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e+Be, e+Mg, e+Ca and e+Sr. These calculations were carried out in orbital spaces containing about…
We will analyze the itinerant model for ferromagnetism with both single-site and two-site electron correlations. We will include band degeneration into the model. This will allow us to consider the on-site exchange interactions in the…
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…
The tailored coupled cluster (TCC) approach is a promising ansatz that preserves the simplicity of single-reference coupled cluster theory, while incorporating a multi-reference wave function through amplitudes obtained from a preceding…