17 citations · 92 across the 23 of their papers we have counts for
3 papers · 2 filters
Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers
Karl Michael Ziems, Erik Rosendahl Kjellgren, Stephan P. A. Sauer +2
The promise of quantum computing to circumvent the exponential scaling of quantum chemistry has sparked a race to develop chemistry algorithms for quantum architecture. However, mo…
Divergences in classical and quantum linear response and equation of motion formulations
Erik Rosendahl Kjellgren, Peter Reinholdt, Karl Michael Ziems +3
Calculating molecular properties using quantum devices can be done through the quantum linear response (qLR) or, equivalently, the quantum equation of motion (qEOM) formulations. D…
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
Dániel Nagy, Peter Reinholdt, Phillip W. K. Jensen +7
We test the performance of the Polarizable Embedding Variational Quantum Eigensolver Self-Consistent-Field (PE-VQE-SCF) model for computing electric field gradients with comparison…