Roland Lindh
Roland Lindh
Professor in Theoretical Chemistry, Uppsala University, Sweden
Verifierad e-postadress på kemi.uu.se - Startsida
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MOLCAS: a program package for computational chemistry
G Karlström, R Lindh, PÅ Malmqvist, BO Roos, U Ryde, V Veryazov, ...
Computational Materials Science 28 (2), 222-239, 2003
18012003
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
16272010
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 108 (15), 2851-2858, 2004
11902004
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
10802016
New relativistic ANO basis sets for transition metal atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
The Journal of Physical Chemistry A 109 (29), 6575-6579, 2005
8762005
Molpro
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani
Limited, 2010
5532010
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
4962002
Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
L Serrano‐Andrés, M Merchán, I Nebot‐Gil, R Lindh, BO Roos
The Journal of chemical physics 98 (4), 3151-3162, 1993
4941993
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
3432012
2MOLCAS as a development platform for quantum chemistry software
V Veryazov, PO Widmark, L Serrano‐Andrés, R Lindh, BO Roos
International journal of quantum chemistry 100 (4), 626-635, 2004
3422004
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
3272010
MOLPRO, version 2012.1, a package of ab initio programs, 2012
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
Google Scholar There is no corresponding record for this reference, 2017
326*2017
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark, AC Borin
The Journal of Physical Chemistry A 112 (45), 11431-11435, 2008
3242008
The reduced multiplication scheme of the Rys quadrature and new recurrence relations for auxiliary function based two‐electron integral evaluation
R Lindh, U Ryu, B Liu
The Journal of chemical physics 95 (8), 5889-5897, 1991
3151991
Local properties of quantum chemical systems: The LoProp approach
L Gagliardi, R Lindh, G Karlström
The Journal of chemical physics 121 (10), 4494-4500, 2004
3092004
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
F Aquilante, TB Pedersen, R Lindh
The Journal of chemical physics 126 (19), 194106, 2007
2982007
MOLPRO, version 2006.1, a package of ab initio programs
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2006
2582006
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
2572002
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
2492004
Unbiased auxiliary basis sets for accurate two-electron integral approximations
F Aquilante, R Lindh, T Bondo Pedersen
The Journal of chemical physics 127 (11), 114107, 2007
2362007
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Artiklar 1–20