Felix H. Bangerter

May 12, 2025

Efficient Low-Scaling Calculation of THC-SOS-LR-CC2 and THC-SOS-ADC(2) Excitation Energies Through Density-Based Integral-Direct Tensor Hypercontraction

Abstract In recent years, rapid improvements in computer hardware, as well as theoretical and algorithmic advances have enabled the calculation…

August 9, 2022

Tensor-Hypercontracted MP2 First Derivatives: Runtime and Memory Efficient Computation of Hyperfine Coupling Constants

Abstract We employ our recently introduced tensor-hypercontracted (THC) second-order Møller–Plesset perturbation theory (MP2) method [Bangerter, F. H., Glasbrenner, M., Ochsenfeld,…