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Zeitschrift fur Physikalische Chemie

Volumn 227, Issue 11, 2013, Pages 1397-1420

7D quantum dynamics of H2 scattering from Cu(111): The accuracy of the phonon sudden approximation

(5) Bonfanti, Matteo a Somers, Mark F a Díaz, Cristina b Busnengo, Heriberto Fabio c Kroes, Geert Jan a

a LEIDEN UNIVERSITY (Netherlands)

b UNIVERSIDAD AUTÓNOMA DE MADRID (Spain)

c UNIVERSIDAD NACIONAL DE ROSARIO (Argentina)

Author keywords

Density Functional Theory; Hydrogen Dissociative Chemisorption; Molecule Surface Scattering; Potential Energy Surface; Scattering Quantum Dynamics Phonon Sudden Approximation

Indexed keywords

ATOMS; CHEMISORPTION; COPPER; DEGREES OF FREEDOM (MECHANICS); DENSITY FUNCTIONAL THEORY; DISSOCIATION; DYNAMICS; EXCITED STATES; MOLECULES; PHONONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

DISSOCIATIVE CHEMISORPTION; FOUR-DEGREES-OF-FREEDOM; LATTICE DEGREE OF FREEDOM; MOLECULE SURFACE; QUANTUM DYNAMICS; SCATTERING PROBABILITIES; SURFACE APPROXIMATION; VIBRATIONAL EXCITATION;

SURFACE SCATTERING;

EID: 84884321718 PISSN: 09429352 EISSN: None Source Type: Journal
DOI: 10.1524/zpch.2013.0405 Document Type: Article

Times cited : (35)

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