All papers authored by Christoph R. Jacob
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2020
Trond Saue 
,
Radovan Bast ,
André Severo Pereira Gomes ,
Hans Jørgen A.-A. Jensen ,
Lucas Visscher ,
Ignacio Agustín Aucar ,
Roberto Di Remigio ,
Kenneth G. Dyall ,
Ephraim Eliav ,
Elke Fasshauer ,
Timo Fleig ,
Loïc Halbert ,
Erik Donovan Hedegård ,
Benjamin Helmich-Paris ,
Miroslav Iliaš
and 12 other authors
,
Radovan Bast ,
André Severo Pereira Gomes ,
Hans Jørgen A.-A. Jensen ,
Lucas Visscher ,
Ignacio Agustín Aucar ,
Roberto Di Remigio ,
Kenneth G. Dyall ,
Ephraim Eliav ,
Elke Fasshauer ,
Timo Fleig ,
Loïc Halbert ,
Erik Donovan Hedegård ,
Benjamin Helmich-Paris ,
Miroslav Iliaš
and 12 other authors
The DIRAC code for relativistic molecular calculations
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Jan Gerit Brandenburg ,
Kieron Burke,
Antonio Cancio,
Jannis Erhard,
Emmanuel Fromager,
Abhisek Ghosal,
Nikitas Gidopoulos,
Paola Gori-Giorgi ,
Trygve Helgaker,
Ben Hourahine ,
Christoph R. Jacob ,
Derk Kooi,
Neepa Maitra,
Manasi R. Mulay,
Katarzyna Pernal
and 10 other authors
,
Kieron Burke,
Antonio Cancio,
Jannis Erhard,
Emmanuel Fromager,
Abhisek Ghosal,
Nikitas Gidopoulos,
Paola Gori-Giorgi ,
Trygve Helgaker,
Ben Hourahine ,
Christoph R. Jacob ,
Derk Kooi,
Neepa Maitra,
Manasi R. Mulay,
Katarzyna Pernal
and 10 other authors
New density-functional approximations and beyond: general discussion
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Jan Gerit Brandenburg ,
Kieron Burke,
Bartolomeo Civalleri ,
Daniel J. Cole ,
Gábor Csányi,
Grégoire David,
Nikitas I. Gidopoulos,
Duncan Gowland,
Trygve Helgaker,
Michael F. Herbst ,
Ben Hourahine ,
Tom J. P. Irons ,
Christoph R. Jacob ,
Pierre-François Loos,
Nisha Mehta
and 12 other authors
,
Kieron Burke,
Bartolomeo Civalleri ,
Daniel J. Cole ,
Gábor Csányi,
Grégoire David,
Nikitas I. Gidopoulos,
Duncan Gowland,
Trygve Helgaker,
Michael F. Herbst ,
Ben Hourahine ,
Tom J. P. Irons ,
Christoph R. Jacob ,
Pierre-François Loos,
Nisha Mehta
and 12 other authors
Challenges for large scale simulation: general discussion
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2016
Paweł T. Panek,
Christoph R. Jacob
On the benefits of localized modes in anharmonic vibrational calculations for small molecules
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Jan P. Unsleber,
Johannes Neugebauer,
Christoph R. Jacob
No need for external orthogonality in subsystem density-functional theory
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2015
Denis G. Artiukhin,
Christoph R. Jacob ,
Johannes Neugebauer
,
Johannes Neugebauer
Excitation energies from frozen-density embedding with accurate embedding potentials
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Tobias Günter,
Hudson W. P. Carvalho,
Dmitry E. Doronkin,
Thomas Sheppard ,
Pieter Glatzel,
Andrew J. Atkins,
Julian Rudolph,
Christoph R. Jacob ,
Maria Casapu,
Jan-Dierk Grunwaldt
,
Pieter Glatzel,
Andrew J. Atkins,
Julian Rudolph,
Christoph R. Jacob ,
Maria Casapu,
Jan-Dierk Grunwaldt
Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13
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