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

Arnaud Leclerc (1, 2) , Tucker Carrington (1)

1 Department of Chemistry, Queen's University
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes

Domaines: Chimie; Physique [physics]

Arnaud Leclerc, Tucker Carrington. Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices. Journal of Chemical Physics, 2014, 140 (17), pp.174111. ⟨10.1063/1.4871981⟩. ⟨hal-02435817⟩