相关论文: Third-order many-body expansion of OSV-MP2 wavefun…
In this work, we numerically study the higher-ordered/extended Boussinesq system describing the propagation of water-waves over flat topography. A reformulation of the same order of precision that avoids the calculation of high order…
We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given…
A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…
Methyl benzoate (MB) is studied as a model compound for the development of new IR pulse schemes with possible applicability to biomolecules. Anharmonic vibrational modes of MB are calculated on different level (MP2, SCS, CCSD(T) with…
A crucial problem in achieving innovative high-throughput materials growth with machine learning and automation techniques, such as Bayesian optimization (BO) and robotic experimentation, has been a lack of an appropriate way to handle…
We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics of system population is described by a…
We present an efficient implementation of the equation of motion oscillator strengths for the closed-shell multilevel coupled cluster singles and doubles with perturbative triples method (MLCC3) in the electronic structure program eT. The…
This work presents cost-effective low-rank techniques for designing robust adaptive beamforming (RAB) algorithms. The proposed algorithms are based on the exploitation of the cross-correlation between the array observation data and the…
We present algorithmic improvements for fast and memory-efficient use of discrete spatial symmetries in Exact Diagonalization computations of quantum many-body systems. These techniques allow us to work flexibly in the reduced basis of…
This paper introduces a novel second-order splitting scheme for charged-particle dynamics in strong magnetic fields characterized by the maximal ordering. The proposed scheme is explicit and symmetric, which respectively ensure the…
Mixture of Experts (MoE), with its distinctive sparse structure, enables the scaling of language models up to trillions of parameters without significantly increasing computational costs. However, the substantial parameter size presents a…
Joint utilization of multiple discrete frequency bands can enhance the accuracy of delay estimation. Although some unique challenges of multiband fusion, such as phase distortion, oscillation phenomena, and high-dimensional search, have…
The success of analytic waveform modeling within the effective-one-body (EOB) approach relies on the precise understanding of the physical importance of each technical element included in the model. The urgency of constructing progressively…
In order to solve the A-body Schr\"odinger equation both accurately and efficiently for open-shell nuclei, a novel many-body method coined as Bogoliubov many-body perturbation theory (BMBPT) was recently formalized and applied at low…
A third-order weighted essentially non-oscillatory compact least-squares scheme is developed for the finite volume method on structured curvilinear non-uniform grids. The proposed scheme features compact least-squares reconstruction with…
X-ray photoelectron spectroscopy (XPS) measures core-electron binding energies (CEBEs) to reveal element-specific insights into chemical environment and bonding. Accurate theoretical CEBE prediction aids XPS interpretation but requires…
Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state…
We first conceive a novel transmission protocol for a multi-relay multiple-input--multiple-output orthogonal frequency-division multiple-access (MIMO-OFDMA) cellular network based on joint transmit and receive beamforming. We then address…
The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum…
In this manuscript, we extend the variational multiscale enrichment (VME) method to model the dynamic response of hyperelastic materials undergoing large deformations. This approach enables the simulation of wave propagation under…