Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
113 (2000), S. 6557-6565
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The Hamilton approach to classical dynamics is extended to incorporate quantum effects. Quantization of the Hamilton equations of motion results in a hierarchy of equations that are equivalent to quantum mechanics in the Heisenberg form. Closure of the hierarchy gives approximations to the exact quantum dynamics. A specific dynamics algorithm is presented and tested against model applications that exhibit tunneling and zero point motion effects. The quantized Hamilton approach is found accurate, consistent, flexible, and computationally very efficient. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1290288
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