Search results for "unitary transformation"
showing 10 items of 14 documents
Analytic high-order Douglas–Kroll–Hess electric field gradients
2007
In this work we present a comprehensive study of analytical electric field gradients in hydrogen halides calculated within the high-order Douglas-Kroll-Hess (DKH) scalar-relativistic approach taking picture-change effects analytically into account. We demonstrate the technical feasibility and reliability of a high-order DKH unitary transformation for the property integrals. The convergence behavior of the DKH property expansion is discussed close to the basis set limit and conditions ensuring picture-change-corrected results are determined. Numerical results are presented, which show that the DKH property expansion converges rapidly toward the reference values provided by four-component met…
Domains of Convergence of Kam Type Iterations for Eigenvalue Problems
1999
The KAM technique was first introduced to deal with small denominator problems appearing in perturbation of invariant tori in classical mechanics [1, 2]. Similar methods were later applied to many different problems, like e.g. eigenvalue problems for time dependent problems in the Floquet representation [3, 4, 5, 6]. Most of the known results are valid for sufficiently small perturbation of some simple (integrable) system. The phenomena arising for large perturbations, in particular critical perturbations at which a given torus loses its stability, have been discussed in the framework of some approximate schemes inspired in renormalization group ideas [7, 8, 9]. In this framework, an iterat…
Exact results for accepting probabilities of quantum automata
2001
One of the properties of Kondacs-Watrous model of quantum finite automata (QFA) is that the probability of the correct answer for a QFA cannot be amplified arbitrarily. In this paper, we determine the maximum probabilities achieved by QFAs for several languages. In particular, we show that any language that is not recognized by an RFA (reversible finite automaton) can be recognized by a QFA with probability at most 0.7726...
Analytic energy gradients for the spin-free exact two-component theory using an exact block diagonalization for the one-electron Dirac Hamiltonian.
2011
We report the implementation of analytic energy gradients for the evaluation of first-order electrical properties and nuclear forces within the framework of the spin-free (SF) exact two-component (X2c) theory. In the scheme presented here, referred to in the following as SFX2c-1e, the decoupling of electronic and positronic solutions is performed for the one-electron Dirac Hamiltonian in its matrix representation using a single unitary transformation. The resulting two-component one-electron matrix Hamiltonian is combined with untransformed two-electron interactions for subsequent self-consistent-field and electron-correlated calculations. The "picture-change" effect in the calculation of p…
Mapping of Composite Hadrons into Elementary Hadrons and Effective Hadronic Hamiltonians
1998
A mapping technique is used to derive in the context of constituent quark models effective Hamiltonians that involve explicit hadron degrees of freedom. The technique is based on the ideas of mapping between physical and ideal Fock spaces and shares similarities with the quasiparticle method of Weinberg. Starting with the Fock-space representation of single-hadron states, a change of representation is implemented by a unitary transformation such that composites are redescribed by elementary Bose and Fermi field operators in an extended Fock space. When the unitary transformation is applied to the microscopic quark Hamiltonian, effective, hermitian Hamiltonians with a clear physical interpre…
Numerical simulation of free dissipative open quantum system and establishment of a formula for π
2020
We transform the system/reservoir coupling model into a one-dimensional semi-infinite discrete chain with nearest neighbor interaction through a unitary transformation, and, simulate the dynamics of free dissipative open quantum system. We investigate the consequences of such modeling, which is observed as finite size effect causing the recurrence of particle from the end of the chain. Afterwards, we determine a formula for π in terms of the matrix operational form, which indicates a robustness of the connection between quantum physics and basic mathematics. peerReviewed
Quantum beats from dressed three-level atoms
1983
Abstract By extending a previously developed unitary transformation technique to dress three-level atoms by a strong driving radiation field, we show that quantum beats can be induced by the presence of the driving field also when the decay channels lead from a singlet to a doublet of lower energy. A qualitative explanation of this effect is presented, which is based on the quantum theory of measurement.
Are the B decay anomalies related to neutrino oscillations?
2015
5 pages.- 2 figures.- v2: 1 ref. added.- v3: matches
Generation of minimum energy entangled states
2020
Quantum technologies exploiting bipartite entanglement could be made more efficient by using states having the minimum amount of energy for a given entanglement degree. Here, we study how to generate these states in the case of a bipartite system of arbitrary finite dimension either by applying a unitary transformation to its ground state or through a zero-temperature thermalization protocol based on turning on and off a suitable interaction term between the subsystems. In particular, we explicitly identify three possible unitary operators and five possible interaction terms. On the one hand, two of the three unitary transformations turn out to be easily decomposable in terms of local eleme…
Relaxation due to random collisions with a many-qudit environment
2008
We analyze the dynamics of a system qudit of dimension mu sequentially interacting with the nu-dimensional qudits of a chain playing the ore of an environment. Each pairwise collision has been modeled as a random unitary transformation. The relaxation to equilibrium of the purity of the system qudit, averaged over random collisions, is analytically computed by means of a Markov chain approach. In particular, we show that the steady state is the one corresponding to the steady state for random collisions with a single environment qudit of effective dimension nu_e=nu*mu. Finally, we numerically investigate aspects of the entanglement dynamics for qubits (mu=nu=2) and show that random unitary …