TY - JOUR
T1 - Quantum mechanism in the photodissociation of NaFH complex
T2 - A challenge to semiclassical analysis
AU - Zeiri, Yehuda
AU - Katz, Gil
AU - Kosloff, Ronnie
AU - Topaler, Maria S.
AU - Truhlar, Donald G.
AU - Polanyi, John C.
PY - 1999/2/12
Y1 - 1999/2/12
N2 - The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.
AB - The photodissociation of collinear HFNa van der Waals complexes is investigated by quantum mechanical wave packet propagation and by five semiclassical trajectory methods. For this system, with strongly avoided crossing, none of the semiclassical theories is qualitatively correct for either half-lives or the branching ratios. Quantum calculations show a substantial isotope effect.
UR - http://www.scopus.com/inward/record.url?scp=0000972324&partnerID=8YFLogxK
U2 - 10.1016/S0009-2614(98)01411-0
DO - 10.1016/S0009-2614(98)01411-0
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AN - SCOPUS:0000972324
SN - 0009-2614
VL - 300
SP - 523
EP - 528
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -