Related papers: Selected configuration interaction dressed by pert…
Most of the metaheuristics can efficiently solve unconstrained problems; however, their performance may degenerate if the constraints are involved. This paper proposes two constraint handling approaches for an emerging metaheuristic of…
It has recently been shown that the SOiCI approach [J. Phys.: Condens. Matter 34 (2022) 224007], in conjunction with the spin-separated exact two-component relativistic Hamiltonian, can provide very accurate fine structures of systems…
A new consistent, spatially adaptive, smoothed particle hydrodynamics (SPH) method for Fluid-Structure Interactions (FSI) is presented. The method combines several attributes that have not been simultaneously satisfied by other SPH methods.…
The adaptive perturbation method decomposes a Hamiltonian by the diagonal elements and non-diagonal elements of the Fock state. The diagonal elements of the Fock state are solvable but can contain the information about coupling constants.…
The perturbation method is an approximation scheme with a solvable leading order. The standard way is to choose a non-interacting sector for the leading order. The adaptive perturbation method improves the solvable part by using all…
The recently proposed many-body expanded full configuration interaction (MBE-FCI) method is extended to excited states and static first-order properties different from total, ground state correlation energies. Results are presented for…
A large-scale configuration-interaction (CI) calculation is reported for the hyperfine splitting of the 2^2S and 3^2S states of ^7Li and ^9Be^+. The CI calculation based on the Dirac-Coulomb-Breit Hamiltonian is supplemented with a separate…
Many algorithms have been developed to solve the inverse problem of coded aperture snapshot spectral imaging (CASSI), i.e., recovering the 3D hyperspectral images (HSIs) from a 2D compressive measurement. In recent years, learning-based…
The complete active space self-consistent field (CASSCF) method is the principal approach employed for studying strongly correlated systems. However, exact CASSCF can only be performed on small active spaces of ~20 electrons in ~20 orbitals…
The paper presents a joint beamforming algorithm using statistical channel state information (S-CSI) for reconfigurable intelligent surfaces (RIS) for multiuser MISO wireless communications. We used S-CSI, which is a long-term average of…
A key claim in recent work on Selective State Space Models is that selectivity, the ability to focus on relevant information while filtering irrelevant inputs, requires breaking the Linear Time-Invariant (LTI) property through time-varying…
In this work, we propose an efficient method for channel state information (CSI) adaptive quantization and feedback in frequency division duplexing (FDD) systems. Existing works mainly focus on the implementation of autoencoder (AE) neural…
Accurate computation of non-covalent, intermolecular interaction energies is important to understand various chemical phenomena, and quantum computers are anticipated to accelerate it. Although the state-of-the-art quantum computers are…
Combinatorial optimization problems have a broad range of applications and map to physical systems with complex dynamics. Among them, the 3-SAT problem is prominent due to its NP-complete nature. In physics terms, its solution corresponds…
We demonstrate that the Configuration Interaction (CI) Approximation recaptures essential features of the exact (Bethe Ansatz) solution to the 1D Hubbard model. As such, it provides valuable route for describing effects which go beyond…
In this survey, we describe controlled interacting particle systems (CIPS) to approximate the solution of the optimal filtering and the optimal control problems. Part I of the survey is focussed on the feedback particle filter (FPF)…
In this second part of our series on the recently proposed many-body expanded full configuration interaction (MBE-FCI) method, we introduce the concept of multideterminantal expansion references. Through theoretical arguments and numerical…
Background: Ab initio many-body methods whose numerical cost scales polynomially with the number of particles have been developed over the past fifteen years to tackle closed-shell mid-mass nuclei. Open-shell nuclei have been further…
Standard spin-density functionals for the exchange-correlation energy of a many-electron ground state make serious self-interaction errors which can be corrected by the Perdew-Zunger self-interaction correction (SIC). We propose a…
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing…