84 citations · 236 across the 17 of their papers we have counts for
Showing 2016 · physics.chem-phShow all
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physics.chem-ph2016★ 15 cited
Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions
Arnaud Leclerc, Phillip S. Thomas, Tucker Carrington
Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions g…
physics.chem-ph2016★ 20 cited
Using symmetry-adapted optimized sum-of-products basis functions to calculate vibrational spectra
Arnaud Leclerc, Tucker Carrington
Vibrational spectra can be computed without storing full-dimensional vectors by using low-rank sum-of-products (SOP) basis functions. We introduce symmetry constraints in the SOP b…