Using Weighted and Chopped Rectangular Collocation Methods with Tensor-Product Contracted Bases To Compute Vibrational Spectra: Avoiding Quadrature

NH and 6-D HF dimer using many fewer points than required when quadrature is used.

Authors

Y Li
Tucker Carrington (ORCID: https://orcid.org/0000-0002-5200-2353)

Institutions

Queen's University (CA)
Division of Chemistry (US)

Publication Details

Journal: Journal of Chemical Theory and Computation
Published: 2026-04-16
DOI: https://doi.org/10.1021/acs.jctc.6c00352
Primary Topic: Tensor decomposition and applications
Type: article
Field-Weighted Citation Impact: 0.00

Funders

Alliance de recherche numérique du Canada
Natural Sciences and Engineering Research Council of Canada

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article

Using Weighted and Chopped Rectangular Collocation Methods with Tensor-Product Contracted Bases To Compute Vibrational Spectra: Avoiding Quadrature

Y Li, Tucker Carrington

Apr 16, 2026

Journal of Chemical Theory and Computation

Tensor decomposition and applications

article

Using Weighted and Chopped Rectangular Collocation Methods with Tensor-Product Contracted Bases To Compute Vibrational Spectra: Avoiding Quadrature

Y Li, Tucker Carrington

April 16, 2026article en

Abstract

NH and 6-D HF dimer using many fewer points than required when quadrature is used.

Journal of Chemical Theory and ComputationVol. 22(8)

Queen's University (CA), Division of Chemistry (US)

Alliance de recherche numérique du Canada, Natural Sciences and Engineering Research Council of Canada

Openalex Percentile: Top 14%

Tensor decomposition and applications

DOI Source OpenAlex

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Using Weighted and Chopped Rectangular Collocation Methods with Tensor-Product Contracted Bases To Compute Vibrational Spectra: Avoiding Quadrature — Y Li, Tucker Carrington · Journal of Chemical Theory and Computation (2026) | TGRS Research Map | TGRS