Scientific Output

 

 

CONFERENCES

2018:  Transborder QuantumChemPhys Lab Workshop

2016: Transborder Theoretical Chemistry Days

2014, 2015:  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

 

2017


 
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

2016



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

2015


 

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

2014

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

2013

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

2012

 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

2011

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

2010

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

2009

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

2008

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

2007

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

2006

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

2005

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


2001

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


2000

 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


1999

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


1998

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


1996

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 
R. Díez Muiño, N. Stolterfoht, A. Arnau, A. Salin, P. M. Echenique, E. Zaremba
Phys. Rev. Lett (1996) 76, 4636


1994

 3- Phase effect in the energy-loss of hydrogen projectiles in zinc targets 
A. Arnau, P. Bauer, F. Kastner, A. Salin, V.H. Ponce, P. D. Fainstein, P.M. Echenique
Phys. Rev. B (1994) 49, 6470


1993

2- On the phase effect in electronic stopping 
P. Bauer, F. Kastner, A. Arnau, A. Salin, P. D. Fainstein, V.H. Ponce, P.M. Echenique
J. of Phys. Cond. Mat. (1993) 5, A273


1992

1- Phase effect in the energy loss of H projectiles in Zn targets – Experimental evidence and theoretical explanation 
P. Bauer, F. Kastner, A. Arnau, A. Salin, P. D. Fainstein, V.H. Ponce, P.M. Echenique
Phys. Rev. Lett (1992) 69, 1137