Avoiding long propagation times in wave packet calculations on scattering with resonances: A new algorithm involving filter diagonalization

Journal of Chemical Physics

Volumn 106, Issue 5, 1997, Pages 1800-1807

  Kroes, Geert Jan ^a   Wall, Michael R ^b   Pang, John W ^b   Neuhauser, Daniel ^b  

^a LEIDEN UNIVERSITY   (Netherlands)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; COPPER; DISSOCIATION; EIGENVALUES AND EIGENFUNCTIONS; HYDROGEN; POLYNOMIALS; RESONANCE; SURFACES;

ABSORBING BOUNDARY CONDITIONS; FILTER DIAGONALIZATION; LANCZOS METHOD; WAVE PACKET METHOD;

ELECTRON SCATTERING;

EID: 0031077385     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473334     Document Type: Article

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