An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms

Phillip S. Thomas (1) , Tucker Carrington (1)

1 Department of Chemistry, Queen's University

Domaines: Chimie; Physique [physics]

Phillip S. Thomas, Tucker Carrington. An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms. Journal of Chemical Physics, 2017, 146 (20), pp.204110. ⟨10.1063/1.4983695⟩. ⟨hal-02435825⟩