Martin Schütz
Martin Schütz
Professor of Theoretical Chemistry, University of Regensburg
Verified email at chemie.uni-regensburg.de - Homepage
TitleCited byYear
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
15522012
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
7011999
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
5812001
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), 014103, 2005
5382005
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
4882002
Molpro
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
version 2010.1, a package of ab initio programs, 2010
4362010
Wiley Interdiscip
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz
Rev.: Comput. Mol. Sci 2 (2), 242-253, 2012
3452012
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
3322000
MOLPRO, version 2010.1, a package of ab initio programs, 2010
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2010
327*2010
Local perturbative triples correction (T) with linear cost scaling
M Schütz, HJ Werner
Chemical Physics Letters 318 (4-5), 370-378, 2000
3022000
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
2902010
High‐accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
Angewandte Chemie International Edition 45 (41), 6856-6859, 2006
2792006
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
2752012
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
2592002
Local Treatment of Electron Correlation in Molecular Clusters:  Structures and Stabilities of (H2O)n, n = 2−4
M Schuetz, G Rauhut, HJ Werner
The Journal of Physical Chemistry A 102 (29), 5997-6003, 1998
2571998
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
2302003
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
2172008
Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory
G Hetzer, M Schütz, H Stoll, HJ Werner
The Journal of Chemical Physics 113 (21), 9443-9455, 2000
2172000
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
2152004
An efficient local coupled cluster method for accurate thermochemistry of large systems
HJ Werner, M Schütz
The Journal of chemical physics 135 (14), 144116, 2011
2092011
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Articles 1–20