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Martin Schütz
Martin Schütz
Professor of Theoretical Chemistry, University of Regensburg
Verified email at chemie.uni-regensburg.de - Homepage
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Year
Molpro: a general‐purpose quantum chemistry program package
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 242-253, 2012
34742012
Low-order scaling local electron correlation methods. I. Linear scaling local MP2
M Schütz, G Hetzer, HJ Werner
The Journal of chemical physics 111 (13), 5691-5705, 1999
8441999
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
M Schütz, HJ Werner
The Journal of Chemical Physics 114 (2), 661-681, 2001
7152001
Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies
A Hesselmann, G Jansen, M Schütz
The Journal of chemical physics 122 (1), 2005
6742005
Wiley Interdiscip
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz
Rev.: Comput. Mol. Sci 2 (2), 242-253, 2012
6322012
MOLPRO, version 2010.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2010
609*2010
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
5232002
MOLPRO, version 2012.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2012
3952012
Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
M Schütz
The Journal of Chemical Physics 113 (22), 9986-10001, 2000
3942000
Local perturbative triples correction (T) with linear cost scaling
M Schütz, HJ Werner
Chemical Physics Letters 318 (4-5), 370-378, 2000
3852000
High-accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006
3392006
MOLPRO, version 2015.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
University of Cardiff Chemistry Consultants (UC3): Cardiff, Wales, UK, 2015
3282015
An efficient local coupled cluster method for accurate thermochemistry of large systems
HJ Werner, M Schütz
The Journal of Chemical Physics 135 (14), 2011
3052011
Local Treatment of Electron Correlation in Molecular Clusters:  Structures and Stabilities of (H2O)n, n = 2−4
M Schütz, G Rauhut, HJ Werner
The Journal of Physical Chemistry A 102 (29), 5997-6003, 1998
3011998
Linear scaling local coupled cluster theory with density fitting. Part I: 4-external integrals
M Schütz, FR Manby
Physical Chemistry Chemical Physics 5 (16), 3349-3358, 2003
2812003
MOLPRO, a package of ab initio programs designed by H
RD Amos, A Bernhardsson, A Berning, P Celani, DL Cooper, ...
J. Werner and PJ Knowles, version 2002, 2002
2792002
Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications
C Pisani, L Maschio, S Casassa, M Halo, M Schütz, D Usvyat
Journal of computational chemistry 29 (13), 2113-2124, 2008
2782008
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
J Yang, W Hu, D Usvyat, D Matthews, M Schütz, GKL Chan
Science 345 (6197), 640-643, 2014
2772014
Analytical energy gradients for local second-order Møller–Plesset perturbation theory using density fitting approximations
M Schütz, HJ Werner, R Lindh, FR Manby
The Journal of chemical physics 121 (2), 737-750, 2004
2672004
Efficacy of the irreversible ErbB family blocker afatinib in epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI)–pretreated non–small-cell lung cancer …
P Hoffknecht, A Tufman, T Wehler, T Pelzer, R Wiewrodt, M Schütz, ...
Journal of Thoracic Oncology 10 (1), 156-163, 2015
2642015
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