84 citations · 236 across the 17 of their papers we have counts for
3 papers · 1 filter
A complex Gaussian approach to molecular photoionization
Abdallah Ammar, Lorenzo Ugo Ancarani, Arnaud Leclerc
We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbit…
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…
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…