List of works - David Kreplin - Paulina

List of works by David Kreplin

A combined first- and second-order optimization method for improving convergence of Hartree–Fock and Kohn–Sham calculations

scientific article published in 2022

Accurate thermochemistry from explicitly correlated distinguishable cluster approximation

scientific article published on 01 February 2015

MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules

scientific article published on 01 February 2020

Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence

scientific article published on 01 May 2019

The Molpro quantum chemistry package

scientific article published on 01 April 2020

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