48 citations · 49 across the 4 of their papers we have counts for
4 papers
Improved Grid-Based Simulation of Coulombic Dynamics
Xiaoning Feng, Hans Hon Sang Chan, David P. Tew
Accurate time-dependent quantum dynamics of Coulombic systems on grid-based representations remains computationally demanding due to the singularity of the Coulomb potential, which…
Quantum Resource Assay for the Grid-Based Simulation of the Photodynamics of Pyrazine
Xiaoning Feng, Hans Hon Sang Chan, David P. Tew
We establish and analyse the performance and resource requirements of an end-to-end fault-tolerant quantum algorithm for computing the absorption spectrum and population dynamics o…
Application of Correlated-Wavefunction and Density-Functional Theories to Endofullerenes: A Cautionary Tale
K. Panchagnula, D. Graf, K. R. Bryenton +3
A recent study by Panchagnula et al. [J. Chem. Phys. 161, 054308 (2024)] illustrated the non-concordance of a variety of electronic structure methods at describing the symmetric do…
Grid-based methods for chemistry simulations on a quantum computer
Hans Hon Sang Chan, Richard Meister, Tyson Jones +2
First quantized, grid-based methods for chemistry modelling are a natural and elegant fit for quantum computers. However, it is infeasible to use today's quantum prototypes to expl…