T. Carrington

activity

20142021

most citedCalculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices

84 citations · 160 across the 10 of their papers we have counts for

collaborators

Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019

Using quadrature and an iterative eigensolver to compute fine-structure ro-vibrational levels of Van der Waals complexes: NH( $^{3} Σ^{-}$ )-He, O $_{2}$ ( $^{3} Σ_{g}^{-}$ )-Ar and O $_{2}$ ( $^{3} Σ_{g}^{-}$ )-He

Xiao-Gang Wang, Tucker Carrington

We introduce a new method for computing spectra of molecules for which a spin-spin term in the Hamiltonian has an important effect. In previous calculations, matrix elements of the…

physics.comp-ph2019★ 14 cited

Machine learning optimization of the collocation point set for solving the Kohn-Sham equation

Jonas Ku, Aditya Kamath, Tucker Carrington +1

The rectangular collocation approach makes it possible to solve the Schrödinger equation with basis functions that do not have amplitude in all regions in which wavefunctions have…

Using quadrature and an iterative eigensolver to compute fine-structure ro-vibrational levels of Van der Waals complexes: NH(3Σ−)-He, O2​(3Σg−​)-Ar and O2​(3Σg−​)-He

Machine learning optimization of the collocation point set for solving the Kohn-Sham equation

Using quadrature and an iterative eigensolver to compute fine-structure ro-vibrational levels of Van der Waals complexes: NH( $^{3} Σ^{-}$ )-He, O $_{2}$ ( $^{3} Σ_{g}^{-}$ )-Ar and O $_{2}$ ( $^{3} Σ_{g}^{-}$ )-He