5 papers
QCMaquis 4.0: Multi-Purpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic +6
QCMaquis is a quantum chemistry software package for general molecular structure calculations in a matrix product state/matrix product operator formalism of the density matrix reno…
Non-iterative Triples for Transcorrelated Coupled Cluster Theory
Maximilian Mörchen, Alberto Baiardi, MichaŠLesiuk +1
We present an implementation of a perturbative triples correction for the coupled cluster ansatz including single and double excitations based on the transcorrelated Hamiltonian. T…
Hybrid Tree Tensor Networks for quantum simulation
Julian Schuhmacher, Marco Ballarin, Alberto Baiardi +4
Hybrid Tensor Networks (hTN) offer a promising solution for encoding variational quantum states beyond the capabilities of efficient classical methods or noisy quantum computers al…
Quantum computing in spin-adapted representations for efficient simulations of spin systems
Anthony Gandon, Alberto Baiardi, Max Rossmannek +2
Exploiting inherent symmetries is a common and effective approach to speed up the simulation of quantum systems. However, efficiently accounting for non-Abelian symmetries, such as…
More quantum chemistry with fewer qubits
Jakob Günther, Alberto Baiardi, Markus Reiher +1
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid…