List of works - Andreas Köhn

Ab initio calculation of the vibrational and electronic spectra of trans- and cis-azobenzene.

scientific article published in August 2003

Adsorption Geometries and Electronic Properties of a Dipolar Phosphonate-Based Monolayer on the NiO Surface

scientific article published in 2022

Capabilities and Limits of the Unitary Coupled-cluster Approach with Generalized Two-body Cluster Operators

scientific article published in 2022

Explicitly correlated electrons in molecules

scientific article published on 29 December 2011

First-order properties from internally contracted multireference coupled-cluster theory with particular focus on hyperfine coupling tensors

scientific article published on 01 August 2018

Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3

scientific article published on 01 September 2005

Limitations of perturbative coupled-cluster approximations for highly accurate investigations of Rb<sub>2</sub><sup>+</sup>

scientific article published in 2021

Linear and quadratic internally contracted multireference coupled-cluster approximations

scientific article published on 01 May 2019

On the Accuracy of Mean-Field Spin–Orbit Operators for 3d Transition-Metal Systems

scientific article published on 13 August 2021

On the distinguishable cluster approximation for triple excitations

scientific article published on 01 April 2019

Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order

scientific article published on 8 March 2019

Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.

scientific article published in November 2017

The Molpro quantum chemistry package

scientific article published on 01 April 2020

The extended explicitly-correlated second-order approximate coupled-cluster singles and doubles ansatz suitable for response theory