相关论文: Absorbing Many-Body Correlations into Core-Optimiz…
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI (FCI) method, the scaling of their computational cost with respect to the system size remains inherently…
In wireless communication systems, mmWave beam tracking is a critical task that affects both sensing and communications, as it is related to the knowledge of the wireless channel. We consider a setup in which a Base Station (BS) needs to…
The availability and accuracy of Channel State Information (CSI) play a crucial role for coherent detection in almost every communication system. Particularly in the recently proposed cell-free massive MIMO system, in which a large number…
Ab initio no-core configuration interaction (NCCI) calculations for the nuclear many-body problem have traditionally relied upon an antisymmetrized product (Slater determinant) basis built from harmonic oscillator orbitals. The accuracy of…
Low Earth Orbit (LEO) satellites are being extensively researched in the development of secure Internet of Remote Things (IoRT). In scenarios with miniaturized terminals, the limited transmission power and long transmission distance often…
Quantum mechanical calculations of core electron binding energies (CEBEs) leading to 2p hole states are relevant to interpreting L-edge x-ray photo-electron spectroscopy (XPS), as well as higher edges. Orbital-optimized density functional…
We study several approaches to orbital optimization in selected configuration interaction plus perturbation theory (SCI+PT) methods, and test them on the ground and excited states of three molecules using the semistochastic heatbath…
Central Force Optimization (CFO) is a new nature-inspired deterministic multi-dimensional search and optimization metaheuristic based on the metaphor of gravitational kinematics. CFO is applied to the PBM antenna benchmark suite and the…
Channel estimation at millimeter wave (mmWave) is challenging when large antenna arrays are used. Prior work has leveraged the sparse nature of mmWave channels via compressed sensing based algorithms for channel estimation. Most of these…
Even when starting with a very poor initial guess, the iterative configuration interaction (iCI) approach can converge from above to full CI very quickly by constructing and diagonalizing a small Hamiltonian matrix at each…
This paper introduces an interacting-particle optimization method tailored to possibly non-convex composite optimization problems, which arise widely in signal processing. The proposed method, \emph{ProxiCBO}, integrates consensus-based…
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density functional theory. In particular, we were concerned with the…
Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
Massive multiple-input multiple-output (MIMO) is a promising approach for cellular communication due to its energy efficiency and high achievable data rate. These advantages, however, can be realized only when channel state information…
Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…
Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…
We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are…
Controllable arrays of ions and ultra-cold atoms can simulate complex many-body phenomena and may provide insights into unsolved problems in modern science. To this end, experimentally feasible protocols for quantifying the buildup of…
With the goal of enabling ultrareliable and low-latency wireless communications for industrial internet of things (IIoT), this paper studies the use of energy-based modulations in noncoherent massive single-input multiple-output (SIMO)…