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List of works by Christopher J Stein

Accurate calculation of the dissociation energy of the highly anharmonic system ClHCl(-).

scientific article

Automated Selection of Active Orbital Spaces ⬇️

FHF–Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis Interaction ⬇️

scientific article published on March 4, 2013

Modern quantum chemistry with [Open]Molcas

scientific article published on 01 June 2020

New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation ⬇️

scientific article published on April 2016

NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces

scientific article published on 27 April 2022

Optimization of highly excited matrix product states with an application to vibrational spectroscopy

scientific article published on 7 March 2019

Rovibrational states of N3- and CO2 up to high J: a theoretical study beyond fc-CCSD(T).

scientific article

Structure and dynamics of the radical cation of ethane arising from the Jahn–Teller and pseudo-Jahn–Teller effects

article

The Delicate Balance of Static and Dynamic Electron Correlation ⬇️

scientific article published on 13 July 2016

The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients

scientific article published on 01 December 2019

autoCAS: A Program for Fully Automated Multiconfigurational Calculations

scientific article published on 07 June 2019

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