1 citations · 1 across the 2 of their papers we have counts for
2 papers
quant-ph2024
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…
physics.chem-ph2024★ 1 cited
Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies
Juliane H. Fuglsbjerg, Dániel Nagy, Hans Jørgen Aa. Jensen +1
In this paper benchmark results are presented on the calculation of vertical electronic excitation energies using a long-range second-order polarisation propagator approximation (S…