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

Journal of Chemical Theory and Computation 2026

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Authors: Y Li, Tucker Carrington

DOI: 10.1021/acs.jctc.6c00352

Cited by: 1

References: 80

Abstract

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

Tensor decomposition and applications Molecular spectroscopy and chirality Spectroscopy and Quantum Chemical Studies

References 80