The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations

Journal of Chemical Physics

Volumn 121, Issue 19, 2004, Pages 9207-9210

  Coutinho Neto, Maurício D ^a   Viel, Alexandra ^a,b   Manthe, Uwe ^a,c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITÉ DE TOULOUSE   (France)

^c BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; GROUND STATE; MATHEMATICAL MODELS; MONTE CARLO METHODS; POTENTIAL ENERGY; QUANTUM THEORY;

GROUND STATE TUNNELING; POTENTIAL ENERGY SURFACES (PES); QUANTUM DYNAMICS;

ALDEHYDES;

EID: 10844294950     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1814356     Document Type: Article

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