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 | 1910 | 2003 |
MOLCAS Version 5.4 K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ... Lund University, Sweden 23, 2002 | 523 | 2002 |
The ab initio model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu+ Z Barandiarán, L Seijo The Journal of chemical physics 89 (9), 5739-5746, 1988 | 433 | 1988 |
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 | 336 | 2020 |
The ab initio model potential method. Main group elements S Huzinaga, L Seijo, Z Barandiarán, M Klobukowski The Journal of chemical physics 86 (4), 2132-2145, 1987 | 296 | 1987 |
Resolving the ambiguity in the relation between Stokes shift and Huang–Rhys parameter M de Jong, L Seijo, A Meijerink, FT Rabouw Physical Chemistry Chemical Physics 17 (26), 16959-16969, 2015 | 285 | 2015 |
The abinitio model potential method. Cowan–Griffin relativistic core potentials and valence basis sets from Li (Z = 3) to La (Z = 57) Z Barandiarán, L Seijo Canadian Journal of Chemistry 70 (2), 409-415, 1992 | 251 | 1992 |
Bonding between CO and the MgO (001) surface: A modified picture MA Nygren, LGM Pettersson, Z Barandiarán, L Seijo The Journal of chemical physics 100 (3), 2010-2018, 1994 | 197 | 1994 |
Molcas K Andersson, MRA Blomberg, MP Fülscher, G Karlström, R Lindh, ... Lund University, Sweden, 1997 | 163 | 1997 |
Ab initio model potential calculations on the electronic spectrum of Ni2+‐doped MgO including correlation, spin–orbit and embedding effects R Llusar, M Casarrubios, Z Barandiarán, L Seijo The Journal of chemical physics 105 (13), 5321-5330, 1996 | 153 | 1996 |
Computational chemistry: reviews of current trends L Seijo, Z Barandiarán, J Leszczynski The Ab Initio Model Potential Method: A Common Strategy for Effective Core …, 1999 | 149 | 1999 |
The risk of COVID-19 death is much greater and age dependent with type I IFN autoantibodies J Manry, P Bastard, A Gervais, T Le Voyer, J Rosain, Q Philippot, ... Proceedings of the National Academy of Sciences 119 (21), 2022 | 128 | 2022 |
Relativistic ab initio model potential calculations including spin–orbit effects through the Wood–Boring Hamiltonian L Seijo The Journal of chemical physics 102 (20), 8078-8088, 1995 | 117 | 1995 |
Absorption and Emission Spectra of Ce3+ in Elpasolite Lattices PA Tanner, CSK Mak, NM Edelstein, KM Murdoch, G Liu, J Huang, L Seijo, ... Journal of the American Chemical Society 125 (43), 13225-13233, 2003 | 116 | 2003 |
Broadband infrared LEDs based on europium-to-terbium charge transfer luminescence JJ Joos, D Van der Heggen, LIDJ Martin, L Amidani, PF Smet, ... Nature communications 11 (1), 3647, 2020 | 111 | 2020 |
Ab initio calculations on the local structure and the 4f–5d absorption and emission spectra of Ce3+-doped YAG J Gracia, L Seijo, Z Barandiarán, D Curulla, H Niemansverdriet, ... Journal of luminescence 128 (8), 1248-1254, 2008 | 110 | 2008 |
MOLCAS, version 6.0 K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, Y Carissan, ... Lund University, Sweden, 2004 | 110 | 2004 |
A b initio model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I) L Seijo, Z Barandiarán, S Huzinaga The Journal of chemical physics 94 (5), 3762-3773, 1991 | 110 | 1991 |
The ab initio model potential method. Second series transition metal elements Z Barandiarán, L Seijo, S Huzinaga The Journal of chemical physics 93 (8), 5843-5850, 1990 | 106 | 1990 |
Structural, electronic, and spectroscopic effects of Ga codoping on Ce-doped yttrium aluminum garnet: first-principles study AB Muñoz-García, L Seijo Physical Review B 82 (18), 184118, 2010 | 96 | 2010 |