All papers authored by Christoph R. Jacob
Refreshing results…
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
Upload
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
Upload
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
Upload
2018
Ines Reinartz,
Claude Sinner,
Daniel Nettels,
Brigitte Stucki-Buchli ,
Florian Stockmar,
Pawel T. Panek,
Christoph R. Jacob ,
Gerd Ulrich Nienhaus ,
Benjamin Schuler ,
Alexander Schug
,
Florian Stockmar,
Pawel T. Panek,
Christoph R. Jacob ,
Gerd Ulrich Nienhaus ,
Benjamin Schuler ,
Alexander Schug
Simulation of FRET dyes allows quantitative comparison against experimental data
Download from aip.scitation.org
2016
Paweł T. Panek,
Christoph R. Jacob
On the benefits of localized modes in anharmonic vibrational calculations for small molecules
Download from arxiv.org
Jan P. Unsleber,
Johannes Neugebauer,
Christoph R. Jacob
No need for external orthogonality in subsystem density-functional theory
Download from pubs.rsc.org
2015
Denis G. Artiukhin,
Christoph R. Jacob ,
Johannes Neugebauer
,
Johannes Neugebauer
Excitation energies from frozen-density embedding with accurate embedding potentials
Download from www.researchgate.net
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
Download from www.researchgate.netMissing publications? Search for publications with a matching author name.