327 citations · 362 across the 2 of their papers we have counts for
7 papers
Transcorrelated Density Matrix Renormalization Group
Alberto Baiardi, Markus Reiher
We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes…
Hardware Efficient Quantum Algorithms for Vibrational Structure Calculations
Pauline J. Ollitrault, Alberto Baiardi, Markus Reiher +1
We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational an…
Nuclear-Electronic All-Particle Density Matrix Renormalization Group
Andrea Muolo, Alberto Baiardi, Robin Feldmann +1
We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schrödinger equation simultaneously for el…
The Density Matrix Renormalization Group in Chemistry and Molecular Physics: Recent Developments and New Challenges
Alberto Baiardi, Markus Reiher
In the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very differ…
Approximate analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent field method
Leon Freitag, Yingjin Ma, Alberto Baiardi +2
We present an approximate scheme for analytical gradients and nonadiabatic couplings for calculating state-average density matrix renormalization group self-consistent-field wavefu…
Large-scale quantum-dynamics with matrix product states
Alberto Baiardi, Markus Reiher
Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experim…