First principles semiclassical calculations of vibrational eigenfunctions

Journal of Chemical Physics

Volumn 134, Issue 23, 2011, Pages

  Ceotto, Michele ^a   Valleau, Stéphanie ^a,b   Gian Franco Tantardini, ^c   Aspuru Guzik, Aln ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b HARVARD UNIVERSITY   (United States)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; TRAJECTORIES;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); CLASSICAL TRAJECTORIES; FIRST PRINCIPLES; INITIAL VALUE REPRESENTATION; SEMI-CLASSICAL APPROXIMATION; SEMI-CLASSICAL CALCULATIONS; SEMICLASSICAL METHODS; TIME DEPENDENT;

EIGENVALUES AND EIGENFUNCTIONS;

EID: 79959755911     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3599469     Document Type: Article

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