Title :
Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions
Author :
Lago, Noelia Faginas ; Laganá, A. ; Larrañaga, Fermin Huarte
Author_Institution :
Univ. of Perugia, Perugia
Abstract :
The theoretical and computational machinery of a code based on the semiclassical initial value representation approach has been revisited to introduce the possibility of dealing with asymmetric systems and using non commercial routines. To validate the code a comparison of the cumulative reaction probability with quantum calculations by considering as a case study the H + H2 prototype reaction has been performed.
Keywords :
computational complexity; quantum computing; asymmetric reactions; asymmetric systems; computational machinery; cumulative reaction probability; quantum dynamics; semiclassical dynamics; semiclassical initial value representation; Chemistry; Computer applications; Hydrogen; Machinery; Monte Carlo methods; Probability; Quantum computing; Quantum mechanics; Real time systems; Tellurium;
Conference_Titel :
Computational Science and its Applications, 2007. ICCSA 2007. International Conference on
Conference_Location :
Kuala Lampur
Print_ISBN :
978-0-7695-2945-5
DOI :
10.1109/ICCSA.2007.35
