Gunnar Schmitz - Dissemin

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All papers authored by Gunnar Schmitz

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2017 Gunnar Schmitz

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, Niels Kristian Madsen

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, Ove Christiansen

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Atomic-batched tensor decomposed two-electron repulsion integrals

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2016 Marius S. Frank, Gunnar Schmitz

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, Christof Hättig

The PNO–MP2 gradient and its application to molecular geometry optimisations

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Gunnar Schmitz

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, Christof Hättig

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Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques

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2014 Gunnar Schmitz

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, Christof Hättig, David P. Tew

Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems

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2013 Gunnar Schmitz

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, Benjamin Helmich, Christof Hättig

A scaling PNO–MP2 method using a hybrid OSV–PNO approach with an iterative direct generation of OSVs †

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2012 Christof Hättig, Gunnar Schmitz

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, Jörg Koßmann

Auxiliary basis sets for density-fitted correlated wavefunction calculations: weighted core-valence and ECP basis sets for post-d elements

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