2 papers
physics.chem-ph2025
Performance of Automatic Active Space Selection for Electronic Excitation Energies
Reza G. Shirazi, Alexander Zech, Peter Pinski +1
Computation of electronic spectra is one of the most important applications of methods capturing static electron correlation, including complete-active-space self-consistent field…
quant-ph2025
Truncated Variational Hamiltonian Ansatz: efficient quantum circuit design for quantum chemistry and material science
Clemens Possel, Walter Hahn, Reza Shirazi +4
Quantum computing has the potential to revolutionize quantum chemistry and material science by offering solutions to complex problems unattainable with classical computers. However…