Reactive and diffractive scattering of H2 from Pt(111) studied using a six-dimensional wave packet method

Journal of Chemical Physics

Volumn 117, Issue 12, 2002, Pages 5885-5898

  Pijper, E ^a   Kroes, G J ^a   Olsen, R A ^b   Baerends, E J ^b  

^a LEIDEN UNIVERSITY   (Netherlands)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; DEGREES OF FREEDOM (MECHANICS); HAMILTONIANS; INTERPOLATION; PARTIAL DIFFERENTIAL EQUATIONS; PLATINUM; PROBABILITY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

BORN-OPPENHEIMER APPROXIMATION; DENSITY FUNCTIONAL THEORY; ELASTIC DIFFRACTIVE SCATTERING; GENERALIZED GRADIENT APPROXIMATION; SCHRODINGER EQUATION; SIX-DIMENSIONAL WAVE PACKET METHOD;

HYDROGEN;

EID: 0037159071     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1501121     Document Type: Article

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