2 papers
physics.chem-ph2026
StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms
Phillip S. Thomas, Minh Nguyen, Dimitri Bazile +6
is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. utilizes th…
physics.chem-ph2016
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…