Electronic structure calculations with GPAW: a real-space implementation of the projectoraugmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of Physics: Condensed Matter 22 (25), 253202, 2010 | 2425 | 2010 |
All-thiol-stabilized Ag44 and Au12Ag32 nanoparticles with single-crystal structures H Yang, Y Wang, H Huang, L Gell, L Lehtovaara, S Malola, H Häkkinen, ... Nature communications 4, 2013 | 775 | 2013 |
Crystal structure of cold compressed graphite M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ... Physical review letters 108 (6), 065501, 2012 | 356 | 2012 |
Birth of the localized surface plasmon resonance in monolayer-protected gold nanoclusters S Malola, L Lehtovaara, J Enkovaara, H Häkkinen ACS nano 7 (11), 10263-10270, 2013 | 301 | 2013 |
Plasmonic twinned silver nanoparticles with molecular precision H Yang, Y Wang, X Chen, X Zhao, L Gu, H Huang, J Yan, C Xu, G Li, J Wu, ... Nature communications 7, 12809, 2016 | 248 | 2016 |
Time-dependent density-functional theory in the projector augmented-wave method M Walter, H Häkkinen, L Lehtovaara, M Puska, J Enkovaara, C Rostgaard, ... The Journal of chemical physics 128 (24), 244101, 2008 | 248 | 2008 |
Solution of time-independent Schrödinger equation by the imaginary time propagation method L Lehtovaara, J Toivanen, J Eloranta Journal of Computational Physics 221 (1), 148-157, 2007 | 224 | 2007 |
Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations M Kuisma, A Sakko, TP Rossi, AH Larsen, J Enkovaara, L Lehtovaara, ... Physical Review B 91 (11), 115431, 2015 | 209 | 2015 |
Au40(SR)24 Cluster as a Chiral Dimer of 8-Electron Superatoms: Structure and Optical Properties S Malola, L Lehtovaara, S Knoppe, KJ Hu, RE Palmer, T Bürgi, ... Journal of the American Chemical Society 134 (48), 19560-19563, 2012 | 120 | 2012 |
High-pressure structures of disilane and their superconducting properties JA Flores-Livas, M Amsler, TJ Lenosky, L Lehtovaara, S Botti, ... Physical review letters 108 (11), 117004, 2012 | 114 | 2012 |
A density functional investigation of thiolate-protected bimetal PdAu 24 (SR) 18 z clusters: doping the superatom complex KA Kacprzak, L Lehtovaara, J Akola, O Lopez-Acevedo, H Häkkinen Physical Chemistry Chemical Physics 11 (33), 7123-7129, 2009 | 112 | 2009 |
Supramolecular Functionalization and Concomitant Enhancement in Properties of Au25 Clusters A Mathew, G Natarajan, L Lehtovaara, H Häkkinen, RM Kumar, ... ACS nano 8 (1), 139-152, 2013 | 111 | 2013 |
All-electron density functional theory and time-dependent density functional theory with high-order finite elements L Lehtovaara, V Havu, M Puska The Journal of chemical physics 131 (5), 054103, 2009 | 77 | 2009 |
Covalently linked multimers of gold nanoclusters Au 102 (p-MBA) 44 and Au∼ 250 (p-MBA) n T Lahtinen, E Hulkko, K Sokołowska, TR Tero, V Saarnio, J Lindgren, ... Nanoscale 8 (44), 18665-18674, 2016 | 72 | 2016 |
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method A Ojanperä, V Havu, L Lehtovaara, M Puska The Journal of chemical physics 136 (14), 144103, 2012 | 63 | 2012 |
Electronic Structure and Optical Properties of the Thiolate-Protected Au28(SMe)20 Cluster S Knoppe, S Malola, L Lehtovaara, T Bürgi, H Häkkinen The Journal of Physical Chemistry A 117 (40), 10526-10533, 2013 | 62 | 2013 |
Efficient numerical method for simulating static and dynamic properties of superfluid helium L Lehtovaara, T Kiljunen, J Eloranta Journal of Computational Physics 194 (1), 78-91, 2004 | 57 | 2004 |
TDDFT Analysis of Optical Properties of Thiol Monolayer-Protected Gold and Intermetallic Silver–Gold Au144(SR)60 and Au84Ag60(SR)60 Clusters S Malola, L Lehtovaara, H Häkkinen The Journal of Physical Chemistry C 118 (34), 20002-20008, 2014 | 44 | 2014 |
Electronic Structure and Optical Properties of the Intrinsically Chiral 16-Electron Superatom Complex [Au20(PP3)4]4+ S Knoppe, L Lehtovaara, H Häkkinen The Journal of Physical Chemistry A 118 (23), 4214-4221, 2014 | 44 | 2014 |
Superatomic S2 Silver Clusters Stabilized by a Thiolate–Phosphine Monolayer: Insight into Electronic and Optical Properties of Ag14 (SC6H3F2) 12 (PPh3) 8 and Ag16 (SC6H3F2) 14 … L Gell, L Lehtovaara, H Häkkinen The Journal of Physical Chemistry A 118 (37), 8351-8355, 2014 | 31 | 2014 |