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This Letter introduces a method for determining the energy spectrum of lattice quantum chromodynamics by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to filter out spurious eigenvalues. Proof-of-principle analyses of the simple harmonic oscillator and the lattice quantum chromodynamics proton mass demonstrate that this method provides faster ground-state convergence than the "effective mass," which is related to the power-iteration algorithm. Lanczos provides more accurate energy estimates than multistate fits to correlation functions with small imaginary times while achieving comparable statistical precision. Two-sided error bounds are computed for Lanczos results and guarantee that excited-state effects cannot shift Lanczos results far outside their statistical uncertainties.
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http://dx.doi.org/10.1103/pcvc-734h | DOI Listing |
Magn Reson Med
September 2025
Support Center for Advanced Neuroimaging (SCAN), Institute for Diagnostic and Interventional Neuroradiology, University of Bern, Bern, Switzerland.
Purpose: Removing water residual signals from MRS spectra is crucial for accurate metabolite quantification. However, currently available algorithms are computationally intensive and time-consuming, limiting their clinical applicability. This work aims to propose and validate two novel pipelines for fast water residual removal in MRS.
View Article and Find Full Text PDFPhys Rev Lett
June 2025
Fermi National Accelerator Laboratory, Batavia, Illinois 60510, USA.
This Letter introduces a method for determining the energy spectrum of lattice quantum chromodynamics by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to filter out spurious eigenvalues. Proof-of-principle analyses of the simple harmonic oscillator and the lattice quantum chromodynamics proton mass demonstrate that this method provides faster ground-state convergence than the "effective mass," which is related to the power-iteration algorithm. Lanczos provides more accurate energy estimates than multistate fits to correlation functions with small imaginary times while achieving comparable statistical precision.
View Article and Find Full Text PDFJ Phys Condens Matter
July 2025
University of Yaoundé I, Faculty of Science, PO Box 812 Yaoundé, Cameroon.
High-entropy alloys are entropy-stabilized disordered solid solutions that may crystallize in a single crystalline phase such as body-centered cubic or face-centered cubic. An efficient screening of single phases remains challenging due to the computational complexity of describing disordered systems and their vast compositional space. As a potential solution, the tight-binding approximation in real space employing the recursion method with the Lanczos algorithm is proposed as a valuable approach for studying the electronic structure of disordered systems and exploring their large chemical space.
View Article and Find Full Text PDFIEEE Trans Cybern
September 2025
Developing model-free $H_{\infty }$ optimal control schemes in systems with unknown model parameters and unmeasurable states is challenging. In this article, an output-feedback (OPFB) suboptimal control scheme based on adaptive dynamic programming (ADP) is proposed to realize model-free $H_{\infty }$ control under uncertain disturbances. First, a free matrix is introduced to compute the suboptimal gain in the absence of an optimal OPFB gain, and a policy iterative algorithm is developed to solve for the suboptimal gain and shown to converge to a solution of the algebraic Riccati equation.
View Article and Find Full Text PDFJ Phys Chem A
July 2025
Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2519 Jiefang Road, Changchun 130023, P. R. China.
A five-dimensional intermolecular potential energy surface (PES) was developed for the CH-N complex with methane fixed at its experimental equilibrium geometry. Intermolecular potential energies were calculated using the explicitly correlated coupled-cluster [CCSD(T)-F12] approach and the augmented correlation-consistent aug-cc-pVTZ basis set. A multidimensional Morse/long-range function was fitted to 49,385 ab initio points, yielding an analytic PES with a root-mean-square deviation of 0.
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