Markus Reiher
Markus Reiher
Professor of Theoretical Chemistry, ETH Zurich
Bestätigte E-Mail-Adresse bei phys.chem.ethz.ch - Startseite
Titel
Zitiert von
Zitiert von
Jahr
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
15862010
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
15862010
Reparameterization of hybrid functionals based on energy differences of states of different multiplicity
M Reiher, O Salomon, BA Hess
Theoretical Chemistry Accounts 107 (1), 48-55, 2001
11912001
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
9932016
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
9932016
Quantum electrodynamics
W Greiner, J Reinhardt
Springer Science & Business Media, 2008
8052008
The generalized Douglas–Kroll transformation
A Wolf, M Reiher, BA Hess
The Journal of chemical physics 117 (20), 9215-9226, 2002
6042002
Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas–Kroll–Hess transformation up to arbitrary order
M Reiher, A Wolf
The Journal of chemical physics 121 (22), 10945-10956, 2004
5182004
Quantum chemical calculation of vibrational spectra of large molecules—Raman and IR spectra for buckminsterfullerene
J Neugebauer, M Reiher, C Kind, BA Hess
Journal of computational chemistry 23 (9), 895-910, 2002
5182002
Assertion and validation of the performance of the functional for the first transition metal row and the G2 test set
O Salomon, M Reiher, BA Hess
The Journal of chemical physics 117 (10), 4729-4737, 2002
4872002
Exact decoupling of the Dirac Hamiltonian. I. General theory
M Reiher, A Wolf
The Journal of chemical physics 121 (5), 2037-2047, 2004
4632004
Relativistic quantum chemistry: the fundamental theory of molecular science
M Reiher, A Wolf
John Wiley & Sons, 2014
4462014
Relativistic quantum chemistry: the fundamental theory of molecular science
M Reiher, A Wolf
John Wiley & Sons, 2014
4462014
Theoretical Study of the Fe(phen)2(NCS)2 Spin-Crossover Complex with Reparametrized Density Functionals
M Reiher
Inorganic chemistry 41 (25), 6928-6935, 2002
4102002
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
3232012
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
3132010
MOLPRO, version 2012.1, a package of ab initio programs, 2012
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
TGZ Molpro: Stuttgart, 2017
301*2017
Elucidating reaction mechanisms on quantum computers
M Reiher, N Wiebe, KM Svore, D Wecker, M Troyer
Proceedings of the National Academy of Sciences 114 (29), 7555-7560, 2017
2812017
Spin in density‐functional theory
CR Jacob, M Reiher
International Journal of Quantum Chemistry 112 (23), 3661-3684, 2012
2022012
Douglas–Kroll–Hess Theory: a relativistic electrons-only theory for chemistry
M Reiher
Theoretical Chemistry Accounts 116 (1-3), 241-252, 2006
1822006
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