Quantum dynamics principles

Quantum mechanics involves two distinct sets of hypotheses—the general mathematical scheme of linear operators and state vectors with its associated probability interpretation and the commutation relations and equations of motion for specific dynamical systems. It is the latter aspect that we wish to develop, by substituting a single quantum dynamical principle for the conventional array of assumptions based on classical Hamiltonian dynamics and the correspondence principle. 

FIRST PRINCIPLES QUANTUM DYNAMICAL STUDY OF FOUR-ATOM REACTIONS... 

First Principles Quantum Dynamical Study of Four-Atom Reactions... 

Heisenberg s principle of uncertainty (or indeterminacy) was based in the Dirac-Jordan transformation theory (see Kragh, Dirac, 44) P. A. M. Dirac, "The Physical Interpretation of the Quantum Dynamics,"... 

Figure 3.32. H2 Sticking (dissociative adsorption) probability S on Pd(100) as a function of incident normal kinetic energy Et = En. Circles are experiment [304], dashed and solid line are 6D first principles quantum dynamics with H2 in the ground state and a thermal distribution appropriate to the experiments, respectively [109]. The inset is also 6D first principles quantum dynamics but based on a better PES [309]. From Ref. [2].

Figure 3.33. Vibrational and rotational temperatures (Tv and Tf) produced in associative desorption of D2 from Pd(100) as a function of the surface temperature Ts. Points are experiments and dashed lines are from 6D first principles quantum dynamics. The solid line corresponds to Tv = Tj = Ts. From Ref. [124].

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