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physics.comp-ph2025★ 5 cited
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…
physics.comp-ph2024★ 3 cited
Classification of electronic structures and state preparation for quantum computation of reaction chemistry
Maximilian Mörchen, Guang Hao Low, Thomas Weymuth +3
Quantum computation for chemical problems will require the construction of guiding states with sufficient overlap with a target state. Since easily available and initializable mean…