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Authors whose works are in public domain in at least one jurisdiction

List of works by Alexander Zech

Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold

scientific article published on 02 July 2018

Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory

scientific article published on 16 October 2018

Extension of frozen-density embedding theory for non-variational embedded wavefunctions

scientific article published on 01 March 2019

First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order

scientific article

OpenMolcas: From Source Code to Insight

scientific article published on 01 October 2019

Orthogonality of embedded wave functions for different states in frozen-density embedding theory

scientific article published in October 2015

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

scientific article published on 28 August 2021

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