3 papers
math.NA2023★ 6 cited
Ascertaining the ideality of photometric stereo datasets under unknown lighting
Elisa Crabu, Federica Pes, Giuseppe Rodriguez +1
The standard photometric stereo model makes several assumptions that are rarely verified in experimental datasets. In particular, the observed object should behave as a Lambertian…
physics.chem-ph2023
CASSCF response equations revisited: a simple and efficient iterative algorithm
Riccardo Alessandro, Ivan Giannì, Federica Pes +2
We present an algorithm to solve the CASSCF linear response equations that is both simple and efficient. The algorithm makes use of the well established symmetric and antisymmetric…
physics.chem-ph2023
A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular Dynamics
Federica Pes, Ètienne Polack, Patrizia Mazzeo +3
This article proposes a so-called Quasi Time-Reversible (QTR G-Ext) scheme based on Grassmann extrapolation of density matrices for an accurate calculation of initial guesses in Bo…