Operator evolution

Its solution can be written in tenns of the time evolution operator t)... 

For themial unimolecular reactions with bimolecular collisional activation steps and for bimolecular reactions, more specifically one takes the limit of tire time evolution operator for - co and t —> + co to describe isolated binary collision events. The corresponding matrix representation of f)is called the scattering matrix or S-matrix with matrix elements... 

The calculation of the time evolution operator in multidimensional systems is a fomiidable task and some results will be discussed in this section. An alternative approach is the calculation of semi-classical dynamics as demonstrated, among others, by Heller [86, 87 and 88], Marcus [89, 90], Taylor [91, 92], Metiu [93, 94] and coworkers (see also [83] as well as the review by Miller [95] for more general aspects of semiclassical dynamics). This method basically consists of replacing the 5-fimction distribution in the true classical calculation by a Gaussian distribution in coordinate space. It allows for a simulation of the vibrational... 

Equation (A3.13.54) legitimates the use of this semi-classical approximation of the molecule-field interaction in the low-pressure regime. Since /7j(t) is explicitly time dependent, the time evolution operator is more... 

A formal derivation of the location of the zeros of Cg t) for a general adiabatic Hamiltonian can be given, following proofs of the adiabatic principle (e.g., [250-252]). The last source, [252] derives an evolution operator U, which is written there, with some slight notational change, in the form... 

The gg component of the evolution operator U is just Cg and is, upon collecting the foregoing. 

The problem is then reduced to the representation of the time-evolution operator [104,105]. For example, the Lanczos algorithm could be used to generate the eigenvalues of H, which can be used to set up the representation of the exponentiated operator. Again, the methods are based on matrix-vector operations, but now much larger steps are possible. 

The path-integral quantum mechanics relies on the basic relation for the evolution operator of the particle with the time-independent Hamiltonian H x, p) = -i- V(x) [Feynman and... 

Focusing on strictly local (i.e. nearest neighbor) interactions. Grossing and Zeilinger [gross88a] consider the following unitary evolution operator U, approximated to first order by ... 

Using (5 = et/fi., the corresponding evolution operator and rule for QCA-I then become, respectively. 

The time-evolution operator acts on each site state (Tj >,... 

Consider a deteriiiinistic local reversible CA i.o. start with an infinite array of sites, T, arranged in some regular fashion, and a.ssume each site can be any of N states labeled by 0 < cr x) < N. If the number of sites is Af, the Hilbert space spanned by the states <7-(x is N- dimensional. The state at time t + 1, cTf+i(a ) depends only on the values cri x ) that are in the immediate neighborhood of X. Because the cellular automata is reversible, the mapping ai x) crt+i x ) is assumed to have a unique inveuse and the evolution operator U t,t + 1) in this Hilbert space is unitary,... 

The problem now is to find the corresponding Hamiltonian, t Hooft shows that the most obvious construction, obtained by rewriting U(t+l,t) as a product of cyclic elements, unfortunately does not work because at the end of the calculation there is no way to uniquely define the vacuum state. Given a cellular automaton with a local unitary evolution operator U = WgUg and the commutator [Ug, Ug ] 0 if [ af — af j> d for some d > 0, the real problem is therefore to find a Hamiltonian... 

To avoid discouraging the reader, we point out that only a few, basic concepts of path integrals are required. We review these here in a heuristic manner, beginning with the celebrated result of Feynman and Hibbs [40], which is that the time-evolution operator or Kernel, K = exp(—can be constructed using... 

The time-evolution operator U(t) for a single electron moving in a 3D-linear potential can be expressed in the form... 

Here, t/(f) is the reduced time evolution operator of the driven damped quantum harmonic oscillator. Recall that representation II was used in preceding treatments, taking into account the indirect damping of the hydrogen bond. After rearrangements, the autocorrelation function (45) takes the form [8]... 

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