Scientific Output
CONFERENCES & WORKSHOPS
2024: Transborder QuantumChemPhys Lab Workshop (Baiona)
2022: Transborder QuantumChemPhys Lab Workshop (Baiona)
2019: Fermi Surface and Novel Phases in Strongly Correlated Electron Systems
2019: Rencontres de Chimie Physique RCP19
2017, 2018, 2019: PCCP workshops
2018: Transborder QuantumChemPhys Lab Workshop
2017: Week 26 - Theoretical Chemistry and Physics at the Quantum Scale Symposium
2016: Transborder Theoretical Chemistry Days
2015 Theoretical Chemistry and Physics at the Quantum Scale - Session of the Euskampus/U. Bordeaux Symposium.
2014: Theoretical Chemistry and Physics at the Quantum Scale - Session of the Euskampus/U. Bordeaux Symposium.
2005: Recent Advances on Atomic and Molecular particles Interacting with gas and solid targets
2004, 2007, 2010: Elementary Reactive Processes at Surfaces
2008: "Communauté de Travail des Pyrénées" Workshop
PEER-REVIEWED SCIENTIFIC ARTICLES
1992 - 1994 - 1996 - 1998 - 1999 - 2000 - 2001 - 2003 - 2005 - 2006 - 2007
2008 - 2009 - 2010 - 2011 - 2012 - 2013 - 2014 - 2015 - 2016 - 2017 - 2018
2019 - 2020 - 2021 -2022 - 2023 - 2024 - 2025
107- Single-molecule electroluminescence: crossover from weak to strong coupling
Andrés Bejarano, Moritz Frankerl, Rémi Avriller, Thomas Frederiksen, Fabio Pistolesi,
arXiv:2504.13657 (2025).
Submitted to Physical Review Letters.
106- Modeling the dielectric spectra of silicon dioxide for passive radiative cooling applications
A. Patt and J. S. Dolado,
Materialia (2025), accepted.
105- Substrate polarization alters the Jahn–Teller effect in a single molecule
M. Frankerl, L. L. Patera, F. Giselbrecht, T. Frederiksen, J. Repp, and A. Donarini,
Phys. Rev. Lett. 134, 176203 (2025).
104- Second harmonic response of azobenzene self-assembled monolayers: the effect of push/pull substitution
A. Dellai, L. Muccioli, F. Castet, C. Tonnelé,
J. Phys. Chem. C, 129, 8417 (2025).
A New Class of Diarylethene Compounds that Exhibit Turn-On Emission: From Aggregation-Induced Emission to Anti-Kasha Emission
Z. Xu, J. Owona, Q. T. Liu, S. Putwa, D. Hean, B. O. Patrick, K. C. Chou, C. Tonnelé, F. Castet, D. Casanova, M. O. Wolf,
Adv. Opt. Mater., 13, 00422 (2025).
103- Isotope Effects in Eley-Rideal Abstraction of Hydrogen from Tungsten Surfaces: the Role of Dissipation
O. Galparsoro, R.M. Barrios, P.E. Ibañez-Almaguer, M. Márquez-Mijares, J.D. Cremé, Y. Silva-Solis, J. Rubayo-Soneira, C. Crespos and P. Larregaray,
Phys. Chem. Chem. Phys 27, 3052 (2025).
102- Mecanismos de redistribución de energía en la dispersión de átomos de hidrógeno en superficies de tungsteno
R. M. Barrios, Ll. Uranga Pina, A. Martinez-Mesa, P. Larregaray,
Anales de la Academia de Ciencias de Cuba (2025) ISSN 2304-0106 | RNPS 2308.
101- Scattering of CO from vacant-MoSe2 with O adsorbates
R. Bombín, R. Díez Muiño, J. I. Juaristi and M. Alducin,
Journal of Physical Chemistry C 128, 19661-19668 (2024).
100- Efficient near-infrared organic light-emitting diodes with emission from spin doublet excitons
H- H. Cho, S. Gorgon, G. Londi, S. Giannini, C. Cho, P. Ghosh, C. Tonnelé, D. Casanova, Y. Olivier, T. K. Baikie, F. and Li, D. Beljonne, N. C. Greenham, R. H. Friend and E. W. Evans,
Nat. Photonics 18, 905-912 (2024).
99- Selectivity of the Binary CO2–N2 and CO2–CO Clathrate Hydrates: A Grand Canonical Monte Carlo Simulation Study
A. Patt and S. Picaud,
ACS Earth and Space Chemistry 8, 1877 (2024).
98- Selectivity of N2–CH4 Mixed Clathrate Hydrates: A Grand Canonical Monte Carlo Study
J. Joliat, D. Vardanega-Bonneton, A. Patt, and S. Picaud,
ACS Earth and Space Chemistry 8, 1586 (2024).
97- Specular scattering of H atoms off pristine and H-covered tungsten surfaces
R. Martin Barrios, N. Omar, O. Galparsoro, C. Crespos, P. Larregaray,
J. Phys. Chem C 128, 13333 (2024).
96- Modeling of pressure-induced charge transfer character in piezoluminescent pyridylvinylanthracene crystals
J. Owona, D. Casanova, L. Truflandier, F. Castet, C. Tonnelé,
J. Mater. Chem. C 12, 13495 (2024).
95- 3,4-Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low-Lying High-Spin States
P. Preethalayam, J. C. Roldao, F. Castet, D. Casanova, S. Radenkovic, H. Ottosson,
Chem. Eur. J. 30, e202303549 (2024).
94- Second-order NonLinear Optical Properties of X-Shaped Pyrazine Derivatives
V. Postils, Z. Buresova, D. Casanova, B. Champagne, F. Bures, V. Rodriguez, F. Castet,
Phys. Chem. Chem. Phys. 26, 1709 (2024).
93- Insight on the generation of near infra-red (NIR) absorbing species in electrochromic Surface-Anchored Metal-Organic Frameworks
A. Mazel, M. Fornasarig, J. Owona, L. Truflandier, F. Castet, A. Rougier,
Dalton Trans. 53, 1657 (2024).
92- Tunable Dirac points in a two-dimensional non-symmorphic wallpaper group lattice
M. A. J. Herrera & D. Bercioux
Communications Physics 6, 42 (2023).
91- Robust Spin Polarization of Yu-Shiba-Rusinov States in Superconductor/Ferromagnetic Insulator Heterostructures
A. Skurativska, J. Ortuzar, D. Bercioux, F. S. Bergeret, & M. A. Cazalilla
Physical Review B 107, 224507 (2023).
90-Spin-texture topology in curved circuits driven by spin-orbit interactions
A. Hijano, E. J. Rodríguez, D. Bercioux & D. Frustaglia
Communications Physics 6, 186 (2023).
89- Fermi arc reconstruction in synthetic photonic lattice
D. -H.-M. Nguyen, C. Devescovi, D.-X. Nguyen, H.-S. Nguyen & D. Bercioux
Physical Review Letters 131, 053602 (2023)
88- Chiral spin channels in curved graphene pn junctions
D. Bercioux, D. Frustaglia, & A. De Martino
Physical Review B (2023)
87- Second-order NonLinear Optical Properties of X-Shaped Pyrazine Derivatives
V. Postils, Z. Buresova, D. Casanova, B. Champagne, F. Bures, V. Rodriguez, F. Castet
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
86- Inelastic scattering of hydrogen atoms off pristine and hydrogen-covered W(100) surfaces
R. Martin Barrios, O. Galparsoro, A. Martínez Mesa, Ll. Uranga Piña, C. Crespos and P. Larregaray
Eur. Phys. J. Spec. Top 2023 doi : 10.1140/ep js/s11734-023-00933-2
85- Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: the Role of Dynamics
F. Castet, C. Tonnelé, L. Muccioli, B. Champagne
Acc. Chem. Res. 2022, 55, 3716−3726
84- Optoelectronic properties of a self-assembling rigidly-linked BF2-curcuminoid bichromophore
C. Tonnelé, M. Catherin, M. Giorgi, G. Canard, D. Casanova, F. Castet, E. Zaborova, F. Fages
Dyes and Pigments, 2022, 207, 110677
83- Highlighting the processing versatility of a silicon phthalocyanine derivative for organic thin-film transistors.
Cranston RR, King B, Dindault, C, Grant TM, Rice NA, Tonnele C, Muccioli L, Castet F, Swaraj S, and Lessard BH.
Journal of Materials Chemistry C 2022, 10, 485
82- H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.
R. Martin-Barrios, N. Hertl, O. Galparsoro, A. Kandratsenka, A. M. Wodtke and P.Larregaray
Phys. Chem. Chem. Phys 2022, 24, 20813
81- Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
C. Naim, P. Besalu-Sala, R. Zalesny, J. M. Luis, F. Castet, and E. Matito
J. Chem. Theory Comput. 19, 1753 (2023)
80- Electric-field induced second harmonic generation responses of push-pull polyenic dyes: experimental and theoretical characterizations
C. Naim, R. Vangheluwe, I. Ledoux-Rak, B. Champagne, C. Tonnele, M. Blanchard-Desce, E. Matito, and F. Castet
Phys. Chem. Chem. Phys. 25, 13978 (2023)
79- How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociationon Tungsten Surfaces
A Rodríguez-Fernández, L Bonnet, P Larrégaray, R Díez Muiño
The Journal of Physical Chemistry Letters 14, 1246 (2023)
78- Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: the Role of
Dynamics
F.Castet, C. Tonnelé, L. Muccioli, B. Champagne
Acc. Chem. Res. 2022, 55, 3716−3726
77- Highlighting the processing versatility of a silicon phthalocyanine derivative for organic thin-film transistors
Cranston RR, King B, Dindault, C, Grant TM, Rice NA, Tonnele C, Muccioli L, Castet F, Swaraj S, and Lessard BH
Journal of Materials Chemistry C 10, 485 (2022)
76- H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction
R. Martin-Barrios, N. Hertl, O. Galparsoro, A. Kandratsenka, A. M. Wodtke and P. Larregaray
Phys. Chem. Chem. Phys, doi: 10.1039/d2cp01850k (2022)
75- Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches
C. Naim, F. Castet, E. Matito
Phys. Chem. Chem. Phys. 23, 21227 (2021)
74- Conservation of chirality at a junction between two Weyl semimetals
S. Tchoumakov, B. Bujnowski, J. Noky, J. Gooth, A. G. Grushin, and J. Cayssol
Phys. Rev. B 104, 125308 (2021)
73- Photon-Emission Statistics induced by Electron Tunnelling in Plasmonic Nanojunctions
R. Avriller, Q. Schaeverbeke, T. Frederiksen, and F. Pistolesi
Phys. Rev. B 104, L241403 (2021)
72- Charge-transfer chemical reactions in nanofluidic Fabry-Pérot cavities
L. Mauro, K. Caicedo, G. Jonusauskas, and R. Avriller
Phys. Rev. B 103, 165412 (2021)
71- Ab-initio molecular dynamics of hydrogen on tungsten surfaces
A. Rodriguez Fernandez, L. Bonnet, P. Larregaray, R. Díez Muiño
Phys. Chem. Chem. Phys. 23, 7919 (2021)
70- Translational Inelasticity of Hydrogen Atoms Scattering off Hydrogen-Covered W(110) Surfaces
R. Martin Barrios, O. Galparsoro, A. Martinez Mesa, Ll. Uranga-Pina, C. Crespos, P. Larregaray
J. Phys. Chem. C. 125, 14075 (2021)
69- Random Force in Molecular Dynamics with Electronic Friction
N. Hertl, R. Martin-Barrios, O. Galparsoro, P. Larregaray, D. J. Auerbach, D. Schwarzer, A. M. Wodtke, and A. Kandratsenka
J. Phys. Chem. C. 125, 14468 (2021)
68- Nitrogen Hydrate Cage Occupancy and Bulk Modulus Inferred from Density Functional Theory-Derived Cell Parameters.
C. Métais, C. Petuya, S. Espert, J. Ollivier, L. Martin-Gondre, and A. Desmedt
J. Phys. Chem. C 125, 6433 (2021)
67- Spontaneous exciton dissociation enables spin state interconversion in delayed fluorescence organic semiconductors
AJ. Gillett, C. Tonnele, G. Londi, G. Ricci, M. Catherin, DML. Unson, D. Casanova, F. Castet, Y. Olivier, WM.
Chen, E. Zaborova, EW. Evans, BH. Drummond, PJ. Conaghan, LS. Cui, NC. Greenham, Y. Puttisong, F. Fages, D. Beljonne, RH. Friend.
Nature Communications 12, 6640 (2021)
66- Silicon Phthalocyanines for n-Type Organic Thin-Film Transistors: Development of Structure-Property Relationships
B. King, OA . Melville, NA. Rice, S. Kashani, C. Tonnele, H. Raboui, S. Swaraj, TM. Grant, T. McAfee, TP. Bender, H. Ade, F. Castet, L. Muccioli, BH. Lessard.
ACS Applied Electronic Materials 3, 325 (2021)
65- N-Type Solution-Processed Tin versus Silicon Phthalocyanines: A Comparison of Performance in Organic Thin-Film Transistors and in Organic Photovoltaics
RR. Cranston, MC. Vebber, NA. Rice, C. Tonnele, F. Castet, L. Muccioli, JL. Brusso, BH. Lessard
ACS Applied Electronic Materials 3, 1873 (2021)
64- Thin-Film Engineering of Solution-Processable n-Type Silicon Phthalocyanines for Organic Thin-Film Transistors
RR. Cranston, MC. Vebber, JF. Berbigier, JF NA. Rice, C. Tonnele, ZJ. Comeau, NT. Boileau, JM. Brusso, AJ. Shuhendler,
F. Castet, L. Muccioli, L TL. Kelly, TL BH. Lessard, BH
ACS applied materials & interfaces 3, 1008 (2021)
63- Flavylium fluorophores as near-infrared emitters
O. Uranga-Barandiaran, D. Casanova, F. Castet
ChemPhysChem. 2020, 21, 1-7;
62- Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanin
L. Lescos, SP Sitkiewicz, P. Beaujean, M. Blanchard-Desce, B. Champagne, E. Matito, and F. Castet
Phys. Chem. Chem. Phys. 2020, 26, 3818 – 3828
61- Nonuniform superconductivity in wires with strong spin-orbit coupling
J. Baumard, J. Cayssol, A. Buzdin
Eur. Phys. J. B 2020, 93, 130
60- Interplay between superconductivity and spin-dependent fields in nanowire-based systems
J. Baumard, J. Cayssol, A. Buzdin, FS Bergeret
Phys. Rev. B 2020, 101, 184512
59- Ab-initio molecular dynamics of hydrogen on tungsten surfaces
A. Rodriguez Fernandez, L. Bonnet, P. Larregaray, R. Diez Muino
Phys. Chem. Chem. Phys. 2020 doi: 10.1039/D0CP05423B
58- When Classical trajectories Get to Quantum Accuracy: II. The Scattering of Rotationally Excited H2 on Pd(111)
A. Rodriguez Fernandez, L. Bonnet, C. Crespos, P. Larregaray, R. Diez Muino
Phys. Chem. Chem. Phys. 2020, 22, 22805-22814
57- Exciton interactions, excimer formation and [2π+2π] photodimerization in nonconjugated curcuminoid-BF2 dimers
M. Catherin,O. Uranga-Barandiaran,A. Brosseau, R. Métivier,G. Canard, A. D'Aléo,D. Casanova, F. Castet, E. Zaborova, F. Fages
Chem. Eur. J. 2020, 26, 3818 – 3828
56- Atomic Scattering of H and N on W(100): Effect of Lattice Vibration and Electronic Excitations on the Dynamics.
C. Ibarguen-Becerra, C. Crespos, O. Galparsoro and P. Larregaray
Surf. Sci. 2020, 701, 121678
55- Nonlinear Optical Properties of Spirocyclo-Hexadine Photoswitches: Insights from DFT Calculations
C. Tonnelé and F. Castet
Photochem. Photobio. Sci., 2019, 18, 2759 a
54- Non-uniform phase in superconducting wires with spin-orbit coupling
J. Baumard, J. Cayssol, and A. Buzdin
Eur. Phys. J. B, 2020, 93, 130
53- Correspondence between bulk equilibrium spin-currents and edge spin accumulation in wires with spin-orbit coupling
IV Tokatly, B Bujnowski, FS Bergeret
Phys. Rev. B, 2019, 100, 214422
52- Single-photon emission mediated by single-electron tunneling in plasmonic nanojunctions
Q. Schaeverbeke, R. Avriller, T. Frederiksen and F. Pistolesi
Phys. Rev. Lett. 2019, 123, 246601
51- When Classical Trajectories Get to Quantum Accuracy: The Scattering of H2 on Pd(111)
A. Rodriguez–Fernandez, L. Bonnet, C. Crespos, P. Larregaray, and R. Diez Muino
J. Phys. Chem. Lett., 2019, 10, 24, 7629–7635
50- Energy dissipation effects on the adsorption dynamics of N2 on W(100)
A. Peña Torres, H.F. Busnengo, J.I. Juaristi, P. Larrégaray, C. Crespos
J. Phys. Chem. C. (2019) doi : 10.1021/acs.jpcc.8b10173
49- Photophysics of Molecular Aggregates from Excited State Diabatization
A. Carreras, O. Uranga-Barandiaran, F. Castet, D. Casanova
J. Chem. Theory. Comput. 2019, 15, 2320-2330.
48- Switchable Josephson current in junctions with spin-orbit splitting
B. Bujnowski, R. Biele, F.S. Bergeret
Phys. Rev. B 2019, 100, 224518
47- Quantum transport properties of an exciton insulator/superonductor hybrid junction.
D. Bercioux, B. Bujnowski, F.S. Bergeret
Adv. Quant. Tech. 2019 2, (1-2) 1800049
46- Generation of superconducting vortex via Néel skyrmions
J. Baumard, J. Cayssol, F.S. Bergeret, A. Buzdin
Phys. Rev. B. 2019, 99, 1, 014511
2018
45- Inelastic Scattering of N2 off W(001): Reconciling experiment and theory at low collision energies
C. Ibarguen-Becerra, P. Larregaray, A. Pena Torres, C. Crespos
J. Phys. Chem. C 2018, 122, 50, 28856–28861
44- Dynamics of N2 sticking on W(100): The decisive role of van der Waals interactions
A. Pena Torres, H. F. Busnengo, J. I. Juaristi, P. Larregaray, C. Crespos
Phys. Chem. Chem. Phys. (2018), 20, 19326-19331
43- Energy dissipation to tungsten surfaces upon hot-atom and Eley-Rideal recombination of H2
O. Galparsoro, A. Martinez, H.F. Busnengo, J.I. Juaristi, C. Crespos, M. Alducin and P. Larregaray
Phys. Chem. Chem. Phys. (2018), 20, 21334-21344
42- Optical properties of quadrupolar and bi-quadrupolar dyes:intra and inter chromophoric interactions
O. Uranga-Barandiaran, C. Manon, E. Zaborova, A. d'Aleo, F. Fages, F.Castet, D. Casanova
Phys. Chem. Chem. Phys. (2018), 20, 38, 24623-24632
41- Hot-Atoms Abstraction Dynamics of Hydrogen from Tungsten Surfaces : The Role of Surface Structure
O. Galparsoro, H.F. Busnengo, J. I. Juaristi, C. Crespos, M. Alducin, and P. Larrégaray
J. Chem. Phys. (2017), doi : 10.1063/1.4997127
40- Stereodynamics of diatom formation through Eley-Rideal Abstraction
O. Galparsoro, J. I. Juaristi, C. Crespos, M. Alducin, and P. Larrégaray
J. Phys. Chem. C (2017), doi :10.1021/acs.jpcc.7b06529
39- Classical Molecule-Surface Scattering in a Quantum Spirit: Application to H2 / Pd(111) Non Activated Sticking
C.Crespos, J. Decock, P. Larregaray, L. Bonnet
J. Phys. Chem. C (2017), doi: 10.1021/acs.jpcc.7b04829
38- Hydrogen Abstraction from Metal Surfaces: When Electron-Hole Pair excitations Strongly
affect Hot-Atom Recombination
O. Galparsoro, R. Petuya, H.F. Busnengo, J. I. Juaristi, C. Crespos, M. Alducin, P. Larregaray
J. Phys.: Condens. Matter 28 (2016) 214001
37-Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model
F. Nattino, O. Galparsoro, F. Costanzo, R. Díez Muiño, M. Alducin, and G. J. Kroes
Journal of Chemical Physics 144, 244708 (2016)
36-Andreev Spectrum of a Josephson Junction with Split-Split Superconductors
B. Bujnowski, D. Bercioux, F. Konschelle, J. Cayssol, F. S. Bergeret
EPL, 15, 67001 (2016)
35- Optical response of silver clusters and their hollow shells from linear-response TDDFT
P. Koval, F. Marchesin, D. Foerster, and D. Sánchez-Portal
J. Phys.: Condens. Matter 28 (2016) 214001
34- Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems
M.P. Ljungberg, P. Koval, F. Ferrari, D. Foerster, and D. Sánchez-Portal
Physical Review B 92, 075422 (2015)
33- Computation of electron energy loss spectra by an iterative method
P. Koval, M. P. Ljungberg, D. Foerster, and D. Sánchez-Portal
Nucl. Instr. & Meth. B 354, 216 (2015)
32- Energy Dissipation to Tungsten Surfaces upon Eley−Rideal Recombination of N2 and H2
O.Galparsoro, R.Petuya, J.I.Juaristi, C.Crespos, M.Alducin, and P.Larregaray
J. Phys. Chem.C (2015) 119, 15434-15442
31- Isotope Effects in Eley-Rideal and Hot-Atom Abstraction Dynamics of Hydrogen from Tungsten (100) and (110) Surfaces
R. Petuya, M.A. Nosir, C. Crespos, R. Díez Muiño and P. Larregaray
J. Phys. Chem.C (2015) 119, 15325-15332
30- Fully self-consistent GW and quasiparticle self-consistent GW for molecules
P. Koval, D. Foerster, and D. Sanchez-Portal
Phys. Rev. B. (2014) 89, 155417
29- Scattering of Nitrogen Atoms off Ag(111) Surfaces: A Theoretical Study
L. Martin-Gondre, G. A. Bocan, M. Blanco-Rey, M. Alducin, J. I. Juaristi, and R. Díez Muiño
J. Phys. Chem. C (2013) 117, 9779
28- Potential Energy Surfaces for the Dynamics of Elementary Gas-Surface Processes
Pablo Gamallo, Ludovic Martin-Gondre, Ramon Sayos, Cédric Crespos, and Pascal Larregaray
in “Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces”.
Springer series in surfaces sciences, ed. H.F. Busnengo and R. Diez-Muino, Springer-Verlag, 2013
27- Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
E. Quintas-Sanchez, P. Larregaray, C. Crespos, J.-C. Rayez, L. Martin-Gondre and J.Rubayo-Soneira
J. Chem. Phys. (2013) 138, 024706
26- Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100)
E. Quintas-Sanchez, P. Larregaray, C. Crespos, L. Martin-Gondre, J.Rubayo-Soneira and J.-C. Rayez
J. Chem. Phys. (2012) 137, 064709
25- Quasi-classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces
V. Moron, L. Martin-Gondre, C. Crespos, P. Larregaray, P. Gamallo and R. Sayos
Comp. Theo. Chem. (2012) 990, 132-143
23- Inelastic shot noise characteristics of nanoscale junctions from first principles
R. Avriller, T. Frederiksen
Phys. Rev. B. (2012) 86, 155411
22- Normalization of the Gaussian binning trajectory method for indirect reactions
L. Bonnet, P. Larrégaray, W. Arbelo-González, M. de Castro-Vítores
Comp. Theo. Chem., (2012) 990, 30-35
21- An O(N3) implementation of Hedins GW approximation for molecules
D.Foerster, P. Koval and D. Sanchez-Portal
J. Chem. Phys. 135 (2011) 074105
20- Detection of ultrafast oscillations in superconducting point contacts by means of supercurrent measurements
R. Avriller, F. S. Bergeret, F. Pistolesi
Phys. Rev. B. (2011) 84, 195415
19- A Parallel Iterative Method for Computing Molecular Absorption Spectra
Peter Koval, Dietrich Foerster, and Olivier Coulaud
J. Chem. Theory Comput. 2010, 6, 2654–2668
18- Comment on "Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces'' Juaristi et al. Reply
J.I. Juaristi, M. Alducin, R. Díez Muiño, H.F. Busnengo, A. Salin
Phys. Rev. Lett (2009) 102, 109602
17- Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces
JI Juaristi, M Alducin, R. Díez Muiño, H.F. Busnengo, A. Salin
Phys. Rev. Lett (2008) 102, 116102
16- The role of exchange-correlation functionals in the potential energy surface and dynamics of N2 dissociation on W surfaces
G.A. Bocan, R. Díez Muiño, M. Alducin, H.F. Busnengo, A. Salin
J. Chem. Phys (2008) 128, 154704
15- Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
M. Alducin, R. Díez Muiño, H.F. Busnengo, A. Salin
Surface Science (2007) 601, 3726
14- Low sticking probability in the nonactivated dissociation of N2 molecules on W(110)
M. Alducin, Díez Muiño, H.F. Busnengo, A. Salin
J. Chem. Phys. (2006) 125, 144705
13- Why N2 molecules with thermal energy abundantly dissociate on W(100) and not on W(110)
M. Alducin, Díez Muiño, H.F. Busnengo, A. Salin
Phys. Rev. Lett (2006) 97, 056102
12- Vicinage effects in the energy loss of slow LiH molecules in metals
M. Alducin, R. Díez Muiño, A. Salin
Nucl. Instr. and Meth. B (2005) 232, 178
2003
11- Dynamic response of a strongly perturbed electron gaz
R. Díez Muiño, A. Arnau, A. Salin, P. M. Echenique
Phys. Rev. B (2003) 68, 041102
10- Distorted wave approach to calculate Auger transition rates of ions in metals
S. A. Deustcher, R. Díez Muiño, A. Arnau, A. Salin, and E. Zaremba
Nucl. Instr. and Meth. B (2001) 182, 8
9- Phase effect in stopping of H ions in Mg
M. Bergsmann, W. Raab, G. Schrenk, F. Kastner, R. Díez Muiño, A. Arnau, A. Salin, P. Bauer, P. M. Echenique
Phys. Rev. B (2000) 65, 3153
8- Dynamic nonlinear screening of slow ions in an electron gas
A. Salin, A. Arnau, P. M. Echenique, E. Zaremba
Phys. Rev. B (1999) 59, 2537
7- Resonance, antiresonance, and decoherence in the excitation of channeled ions in crystals
A. Salin, A. Arnau, P. M. Echenique
Phys. Rev. A (1998) 57, 2772
6- Auger and radiative filling rates of highly charged ions below metal surfaces
R. Díez Muiño, A. Salin, N. Stolterfoht, A. Arnau, and P. M. Echenique
Phys. Rev. A (1998) 57, 1126
5- Investigation of the influence of impact parameter selection on energy loss measurements in gases
E. Steinbauer, A. Salin, A. Arnau, R. Díez Muiño, F. Kastner, and P. Bauer
Nucl. Instr. and Meth. B (1996) 115, 93
4- L-shell filling rates of highly charged ions in metals
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3- Phase effect in the energy-loss of hydrogen projectiles in zinc targets
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Phys. Rev. B (1994) 49, 6470
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