2 papers
cond-mat.other2018
A simple position operator for periodic systems
Emilia Aragao Valença, Diego Moreno, Stefano Battaglia +5
We present a position operator that is compatible with periodic boundary conditions (PBC). It is a one-body operator that can be applied in calculations of correlated materials by…
physics.chem-ph2017
An efficient relativistic density-matrix renormalization group implementation in a matrix-product formulation
Stefano Battaglia, Sebastian Keller, Stefan Knecht
We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us t…