16034125
2013
1
chicago-fullnote-bibliography
50
date
315
https://sites.unimi.it/etsf/wp-content/plugins/zotpress/
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Conte, A.M., C. Violante, M. Missori, F. Bechstedt, L. Teodonio, E. Ippoliti, P. Carloni, L. Guidoni, and O. Pulci. “Theoretical Optical Spectroscopy of Complex Systems.” Journal of Electron Spectroscopy and Related Phenomena 189, no. SUPPL. (2013): 46–55. https://doi.org/10.1016/j.elspec.2013.02.002.
Chiodo, L., A. Iacomino, M. Palummo, and A. Rubio. “Titania Nanostructures Electronic and Optical Response.” In Handbook of Functional Nanomaterials, 2:135–54, 2013. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84951739346&partnerID=40&md5=27a732521fdd86085d2f5297fa67dab7.
Dinh, P.M., P. Romaniello, P.-G. Reinhard, and E. Suraud. “Calculation of Photoelectron Spectra: A Mean-Field-Based Scheme.” Physical Review A – Atomic, Molecular, and Optical Physics 87, no. 3 (2013). https://doi.org/10.1103/PhysRevA.87.032514.
Hautier, G., A. Miglio, G. Ceder, G.-M. Rignanese, and X. Gonze. “Identification and Design Principles of Low Hole Effective Mass P-Type Transparent Conducting Oxides.” Nature Communications 4 (2013). https://doi.org/10.1038/ncomms3292.
Oliveira, M.J.T., and X. Gonze. “Spin-Orbit Effects in the Bismuth Atom and Dimer: Tight-Binding and Density Functional Theory Comparison.” Journal of Physics B: Atomic, Molecular and Optical Physics 46, no. 9 (2013). https://doi.org/10.1088/0953-4075/46/9/095101.
Matthes, L., P. Gori, O. Pulci, and F. Bechstedt. “Universal Infrared Absorbance of Two-Dimensional Honeycomb Group-IV Crystals.” Physical Review B – Condensed Matter and Materials Physics 87, no. 3 (2013). https://doi.org/10.1103/PhysRevB.87.035438.
Tuovinen, R., R. Van Leeuwen, E. Perfetto, and G. Stefanucci. “Time-Dependent Landauer-Büttiker Formula for Transient Dynamics,” Vol. 427, 2013. https://doi.org/10.1088/1742-6596/427/1/012014.
Andrea Rozzi, C., S. Maria Falke, N. Spallanzani, A. Rubio, E. Molinari, D. Brida, M. Maiuri, et al. “Quantum Coherence Controls the Charge Separation in a Prototypical Artificial Light-Harvesting System.” Nature Communications 4 (2013). https://doi.org/10.1038/ncomms2603.
Vincendon, M., P.M. Dinh, P. Romaniello, P.-G. Reinhard, and E. Suraud. “Photoelectron Spectra from Full Time Dependent Self-Interaction Correction.” European Physical Journal D 67, no. 5 (2013). https://doi.org/10.1140/epjd/e2013-30461-7.
Rogan, J., M. Ramírez, A. Varas, and M. Kiwi. “How Relevant Is the Choice of Classical Potentials in Finding Minimal Energy Cluster Conformations?” Computational and Theoretical Chemistry 1021 (2013): 155–63. https://doi.org/10.1016/j.comptc.2013.07.004.
Nielsen, S.E.B., M. Ruggenthaler, and R. Van Leeuwen. “Many-Body Quantum Dynamics from the Density.” EPL 101, no. 3 (2013). https://doi.org/10.1209/0295-5075/101/33001.
Zemanova Dieskova, M., I. Štich, and P. Bokes. “Rigidity of the Conductance of an Anchored Dithioazobenzene Optomechanical Switch.” Physical Review B – Condensed Matter and Materials Physics 87, no. 24 (2013). https://doi.org/10.1103/PhysRevB.87.245418.
Hogan, C., E. Ferraro, N. McAlinden, and J.F. McGilp. “Optical Fingerprints of Si Honeycomb Chains and Atomic Gold Wires on the Si(111)-(5×2)-Au Surface.” Physical Review Letters 111, no. 8 (2013). https://doi.org/10.1103/PhysRevLett.111.087401.
Kurth, S., and G. Stefanucci. “Dynamical Correction to Linear Kohn-Sham Conductances from Static Density Functional Theory.” Physical Review Letters 111, no. 3 (2013). https://doi.org/10.1103/PhysRevLett.111.030601.
Gatti, M., and M. Guzzo. “Dynamical Screening in Correlated Metals: Spectral Properties of SrVO 3 in the GW Approximation and Beyond.” Physical Review B – Condensed Matter and Materials Physics 87, no. 15 (2013). https://doi.org/10.1103/PhysRevB.87.155147.
Jain, A., I.E. Castelli, G. Hautier, D.H. Bailey, and K.W. Jacobsen. “Performance of Genetic Algorithms in Search for Water Splitting Perovskites.” Journal of Materials Science 48, no. 19 (2013): 6519–34. https://doi.org/10.1007/s10853-013-7448-9.
Di Gennaro, M., S.K. Saha, and M.J. Verstraete. “Role of Dynamical Instability in the Ab Initio Phase Diagram of Calcium.” Physical Review Letters 111, no. 2 (2013). https://doi.org/10.1103/PhysRevLett.111.025503.
De Giovannini, U., G. Brunetto, A. Castro, J. Walkenhorst, and A. Rubio. “Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory.” ChemPhysChem 14, no. 7 (2013): 1363–76. https://doi.org/10.1002/cphc.201201007.
Ruggenthaler, M., S.E.B. Nielsen, and R. Van Leeuwen. “Analytic Density Functionals with Initial-State Dependence and Memory.” Physical Review A – Atomic, Molecular, and Optical Physics 88, no. 2 (2013). https://doi.org/10.1103/PhysRevA.88.022512.
Espejo, C., T. Rangel, A.H. Romero, X. Gonze, and G.-M. Rignanese. “Band Structure Tunability in MoS2 under Interlayer Compression: A DFT and GW Study.” Physical Review B – Condensed Matter and Materials Physics 87, no. 24 (2013). https://doi.org/10.1103/PhysRevB.87.245114.
El-Sayed, A., P. Borghetti, E. Goiri, C. Rogero, L. Floreano, G. Lovat, D.J. Mowbray, et al. “Understanding Energy-Level Alignment in Donor-Acceptor/Metal Interfaces from Core-Level Shifts.” ACS Nano 7, no. 8 (2013): 6914–20. https://doi.org/10.1021/nn4020888.
De Carvalho, L.C., J. Furthmüller, and F. Bechstedt. “In4d and Ga3d Levels in InxX1-xN (X = Ga, Al) Alloys.” Applied Physics Letters 102, no. 17 (2013). https://doi.org/10.1063/1.4803666.
Küfner, S., J. Furthmüller, L. Matthes, M. Fitzner, and F. Bechstedt. “Structural and Electronic Properties of α-Tin Nanocrystals from First Principles.” Physical Review B – Condensed Matter and Materials Physics 87, no. 23 (2013). https://doi.org/10.1103/PhysRevB.87.235307.
Abedi, A., N.T. Maitra, and E.K.U. Gross. “Response to ‘comment on ‘Correlated Electron-Nuclear Dynamics: Exact Factorization of the Molecular Wavefunction’’ [J. Chem. Phys. 139, 087101 (2013)].” Journal of Chemical Physics 139, no. 8 (2013). https://doi.org/10.1063/1.4818523.
Cappellini, G., J. Furthmüller, E. Cadelano, and F. Bechstedt. “Electronic and Optical Properties of Cadmium Fluoride: The Role of Many-Body Effects.” Physical Review B – Condensed Matter and Materials Physics 87, no. 7 (2013). https://doi.org/10.1103/PhysRevB.87.075203.
Attaccalite, C., L. Wirtz, A. Marini, and A. Rubio. “Efficient Gate-Tunable Light-Emitting Device Made of Defective Boron Nitride Nanotubes: From Ultraviolet to the Visible.” Scientific Reports 3 (2013). https://doi.org/10.1038/srep02698.
Botti, S., and J. Vidal. “Energy Generation: Solar Energy.” In Computational Approaches to Energy Materials, 29–69, 2013. https://doi.org/10.1002/9781118551462.ch2.
Castelli, I.E., J.M. García-Lastra, F. Hüser, K.S. Thygesen, and K.W. Jacobsen. “Stability and Bandgaps of Layered Perovskites for One- and Two-Photon Water Splitting.” New Journal of Physics 15 (2013). https://doi.org/10.1088/1367-2630/15/10/105026.
Marsili, M., S. Botti, M. Palummo, E. Degoli, O. Pulci, H.-C. Weissker, M.A.L. Marques, S. Ossicini, and R. Del Sole. “Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects.” Journal of Physical Chemistry C 117, no. 27 (2013): 14229–34. https://doi.org/10.1021/jp3121269.
D’Agosta, R., and M. Di Ventra. “Foundations of Stochastic Time-Dependent Current-Density Functional Theory for Open Quantum Systems: Potential Pitfalls and Rigorous Results.” Physical Review B – Condensed Matter and Materials Physics 87, no. 15 (2013). https://doi.org/10.1103/PhysRevB.87.155129.
Stella, L., P. Zhang, F.J. García-Vidal, A. Rubio, and P. García-González. “Performance of Nonlocal Optics When Applied to Plasmonic Nanostructures.” Journal of Physical Chemistry C 117, no. 17 (2013): 8941–49. https://doi.org/10.1021/jp401887y.
Zemanova Dieskova, M., A. Ferretti, and P. Bokes. “Tunneling through Al/AlOx/Al Junction: Analytical Models and First-Principles Simulations.” Physical Review B – Condensed Matter and Materials Physics 87, no. 19 (2013). https://doi.org/10.1103/PhysRevB.87.195107.
D’Agosta, R. “Towards a Dynamical Approach to the Calculation of the Figure of Merit of Thermoelectric Nanoscale Devices.” Physical Chemistry Chemical Physics 15, no. 6 (2013): 1758–65. https://doi.org/10.1039/c2cp42594g.
De Carvalho, L.C., A. Schleife, J. Furthmüller, and F. Bechstedt. “Ab Initio Calculation of Optical Properties with Excitonic Effects in Wurtzite InxGa1-xN and InxAl1-xN Alloys.” Physical Review B – Condensed Matter and Materials Physics 87, no. 19 (2013). https://doi.org/10.1103/PhysRevB.87.195211.
Tanwar, A., E. Fabiano, P.E. Trevisanutto, L. Chiodo, and F. Della Sala. “Accurate Ionization Potential of Gold Anionic Clusters from Density Functional Theory and Many-Body Perturbation Theory.” European Physical Journal B 86, no. 4 (2013). https://doi.org/10.1140/epjb/e2013-40016-5.
Colonna, S., G. Serrano, P. Gori, A. Cricenti, and F. Ronci. “Systematic STM and LEED Investigation of the Si/Ag(110) Surface.” Journal of Physics Condensed Matter 25, no. 31 (2013). https://doi.org/10.1088/0953-8984/25/31/315301.
Johnson, P.S., P.L. Cook, I. Zegkinoglou, J.M. García-Lastra, A. Rubio, R.E. Ruther, R.J. Hamers, and F.J. Himpsel. “Electronic Structure of Fe-vs. Ru-Based Dye Molecules.” Journal of Chemical Physics 138, no. 4 (2013). https://doi.org/10.1063/1.4788617.
Muñoz, M., A. Varas, C. Cárdenas, J. Rogan, and P. Fuentealba. “Performance of Modified Lennard-Jones Potential to Seed Ab Initio Calculations of Small Cadmium Clusters.” Computational and Theoretical Chemistry 1021 (2013): 249–55. https://doi.org/10.1016/j.comptc.2013.07.041.
Schleife, A., P. Rinke, F. Bechstedt, and C.G. Van De Walle. “Enhanced Optical Absorption Due to Symmetry Breaking in TiO 2(1-x)S2x Alloys.” Journal of Physical Chemistry C 117, no. 8 (2013): 4189–93. https://doi.org/10.1021/jp3106937.
Botti, S., and M.A.L. Marques. “Strong Renormalization of the Electronic Band Gap Due to Lattice Polarization in the Gw Formalism.” Physical Review Letters 110, no. 22 (2013). https://doi.org/10.1103/PhysRevLett.110.226404.