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Roland Lindh
Roland Lindh
Professor in Theoretical Chemistry, Uppsala University, Sweden
Email verificata su kemi.uu.se - Home page
Titolo
Citata da
Citata da
Anno
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
19062003
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
17352010
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
16062004
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
15932016
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
11542005
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
7892019
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
626*2010
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
5211993
MOLCAS Version 5.4
K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ...
Lund University, Sweden 23, 2002
4932002
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
4682008
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
4122012
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
3952004
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
3912020
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
3682004
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
3562015
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), 2007
3552007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
F Aquilante, R Lindh, T Bondo Pedersen
The Journal of chemical physics 127 (11), 2007
3472007
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
3321991
Chemi-and bioluminescence of cyclic peroxides
M Vacher, I Fdez. Galván, BW Ding, S Schramm, R Berraud-Pache, ...
Chemical reviews 118 (15), 6927-6974, 2018
3192018
New relativistic ANO basis sets for actinide atoms
BO Roos, R Lindh, PÅ Malmqvist, V Veryazov, PO Widmark
Chemical physics letters 409 (4-6), 295-299, 2005
3122005
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20