Related papers: Adaptive multiconfigurational wave functions
In this paper, we propose an adaptive high-order method for hyperbolic systems of conservation laws. The proposed method is based on a dual formulation approach: Two numerical solutions, corresponding to conservative and nonconservative…
Energy forecasting is pivotal in energy systems, by providing fundamentals for operation, with different horizons and resolutions. Though energy forecasting has been widely studied for capturing temporal information, very few works…
Fragmentation methods applied to multireference wave functions constitute a road towards the application of highly accurate ab initio wave function calculations to large molecules and solids. However, it is important for reproducibility and…
This paper presents reduced-rank linearly constrained minimum variance (LCMV) beamforming algorithms based on joint iterative optimization of filters. The proposed reduced-rank scheme is based on a constrained joint iterative optimization…
Compositional energy-based models can generalize to larger combinatorial reasoning problems by reusing a learned factor energy across many local constraints. In our paper, we show that a key bottleneck in compositional reasoning is not…
This study utilizes multidisciplinary design optimization (MDO) to design an array of heaving wave energy converters (WECs) for grid-scale energy production with decision variables and parameters chosen from the coupled disciplines of…
A low-profile, modified Complementary Frequency Selective Surface (CFSS) with dual band-pass characteristic is presented. This technique adds independent control of the operation bands, which was a limitation from previous FSSs design based…
The congruent transformation of the electronic Hamiltonian is developed to address the electron correlation problem in many-electron systems. The central strategy presented in this method is to perform transformation on the electronic…
Recently, a new distributed implementation of the full configuration interaction (FCI) method has been reported [Gao et al. J. Chem Theory Comput. 2024, 20, 1185]. Thanks to a hybrid parallelization scheme, the authors were able to compute…
A new domain decomposition method for Maxwell's equations in conductive media is presented. Using this method reconstruction algorithms are developed for determination of dielectric permittivity function using time-dependent scattered data…
We consider the energy supercritical wave maps from $\mathbb{R}^d$ into the $d$-sphere $\mathbb{S}^d$ with $d \geq 7$. Under an additional assumption of 1-corotational symmetry, the problem reduces to the one dimensional semilinear wave…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
Stability of power networks is an increasingly important topic because of the high penetration of renewable distributed generation units. This requires the development of advanced (typically model-based) techniques for the analysis and…
Motivated by the problem of optimization of force-field systems in physics using large-scale computer simulations, we consider exploration of a deterministic complex multivariate response surface. The objective is to find input combinations…
We present a method to construct pseudo-BCS wave functions from the one-body density matrix. The resulting many-body wave function, which can be produced for any fermion systems, including those with purely repulsive interactions, has the…
Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jastrow wave functions are the most commonly used variational…
A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying…
Linear hybrid beamformer designs are conceived for the decentralized estimation of a vector parameter in a millimeter wave (mmWave) multiple-input multiple-output (MIMO) Internet of Things network (IoTNe). The proposed designs incorporate…
Cognitive beamforming (CB) is a multi-antenna technique for efficient spectrum sharing between primary users (PUs) and secondary users (SUs) in a cognitive radio network. Specifically, a multi-antenna SU transmitter applies CB to suppress…
A trial wave function is proposed for studying the instability of the two-dimensional Hubbard model with respect to d-wave superconductivity. Double occupancy is reduced in a similar way as in previous variational studies, but in addition…