19 citations · 19 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 19 cited
Multiconfigurational quantum chemistry: The CASPT2 method
Stefano Battaglia, Ignacio Fdez. Galván, Roland Lindh
This chapter presents the theory behind the CASPT2 method and its adaptation to a multi-state formalism. The chapter starts with an introduction of the theory of the CASPT2 method…
physics.chem-ph2016
What do we approximate and what are the consequences in perturbation theory?
Lasse Kragh Sørensen, Roland Lindh, Marcus Lundberg
We present a discussion of the consequences in perturbation theory when an exact eigenfunctions and eigenvalues to to the zeroth order Hamiltonian cannot be found. Since the…