Non-Markovian effects on quantum optimal control of dissipative wave packet dynamics

Ohtsuki, Yukiyoshi

doi:10.1063/1.1576385

Cited by 43 publications

(27 citation statements)

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“…We apply it to the qubit state that is initially in the state, |ψ(t = 0) = 1 2 31 v B =28 |Bv B , and calculate the target population after the irradiation of the set of gate pulses in figure 1(a). To systematically examine the decoherence effects on the quantum search, the time evolution of the vibronic system is assumed to be described by the non-Markovian master equation (in the double-space notation) [43,53]:…”

Section: Resultsmentioning

confidence: 99%

Optical Characteristics of Moth-Eye Structures on Poly(methyl methacrylate) and Polycarbonate Sheets Fabricated by Thermal Nanoimprinting Processes

Tsai

Ting

2009

jjap

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In this paper, molecular quantum computation is numerically studied with the quantum search algorithm (Grover's algorithm) by means of optimal control simulation. Qubits are implemented in the vibronic states of I 2 , while gate operations are realized by optimally designed laser pulses. The methodological aspects of the simulation are discussed in detail. We show that the algorithm for solving a gate pulse-design problem has the same mathematical form as a state-to-state control problem in the density matrix formalism, which provides monotonically convergent algorithms as an alternative to the Krotov method. The sequential irradiation of separately designed gate pulses leads to the population distribution predicted by Grover's algorithm. The computational accuracy is reduced by the imperfect quality of the pulse design and by the electronic decoherence processes that are modeled by the non-Markovian master equation. However, as long as we focus on the population distribution of the vibronic qubits, we can search a target state with high probability without introducing error-correction processes during the computation. A generalized gate pulsedesign scheme to explicitly include decoherence effects is outlined, in which we propose a new objective functional together with its solution algorithm that guarantees monotonic convergence.

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Section: Resultsmentioning

confidence: 99%

Optical Characteristics of Moth-Eye Structures on Poly(methyl methacrylate) and Polycarbonate Sheets Fabricated by Thermal Nanoimprinting Processes

Tsai

Ting

2009

jjap

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“…The bath-field interaction,Ĥ BF (t), is often neglected [24], but is included in the above Hamiltonian for completeness. The Hamiltonian of the primary system has the form:…”

Section: The Surrogate Hamiltonian Approachmentioning

confidence: 99%

A Surrogate Hamiltonian study of femtosecond photodesorption of CO from NiO(100)

Asplund

Klüner

2013

Molecular Physics

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In this paper, the Surrogate Hamiltonian approach is employed in order to study electronic relaxation in femtosecond laserinduced desorption experiments of CO from NiO(100). The study is based on ab initio calculations and a microscopic description of the NiO(100)-surface and the relaxation mechanism developed by Koch et al. The relaxation mechanism is assumed to be of dipole-dipole interaction nature, where the transition dipole moment of the adsorbate interacts with surface electron-hole pairs. In the Surrogate Hamiltonian approach the electron-hole pairs are treated as two-level systems and are described by excitation energy and a dipole charge. The Surrogate Hamiltonian parameters and potential energy surfaces used are obtained from ab initio calculations. The desorption probability and the velocity distributions of the desorbing molecules are calculated and an excited state lifetime is predicted. Throughout this paper atomic units, i.e. = m e = e = a 0 = 1, have been used unless otherwise stated.

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“…Control in open quantum systems has been treated in the Redfield, [39][40][41][42][43] Lindblad, [44][45][46][47] or non-Markovian formalisms. [48][49][50][51][52] In recent work, 53,54 we have presented an OCT simulation of an isomerization in a one-dimensional reaction path model coupled to an environment described by a bath of harmonic oscillators. The example was the Cope rearrangement of Thiele's ester that is the most stable dimer obtained by the dimerization of methyl-cyclopentadienenylcarboxylate.…”

Section: Introductionmentioning

confidence: 99%

Optimal control of a Cope rearrangement by coupling the reaction path to a dissipative bath or a second active mode

Chenel

Meier

Dive

et al. 2015

The Journal of Chemical Physics

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Articles you may be interested inIncorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths J. Chem. Phys. 136, 144109 (2012) We compare the strategy found by the optimal control theory in a complex molecular system according to the active subspace coupled to the field. The model is the isomerization during a Cope rearrangement of Thiele's ester that is the most stable dimer obtained by the dimerization of methyl-cyclopentadienenylcarboxylate. The crudest partitioning consists in retaining in the active space only the reaction coordinate, coupled to a dissipative bath of harmonic oscillators which are not coupled to the field. The control then fights against dissipation by accelerating the passage across the transition region which is very wide and flat in a Cope reaction. This mechanism has been observed in our previous simulations [Chenel et al., J. Phys. Chem. A 116, 11273 (2012)]. We compare here, the response of the control field when the reaction path is coupled to a second active mode. Constraints on the integrated intensity and on the maximum amplitude of the fields are imposed limiting the control landscape. Then, optimum field from one-dimensional simulation cannot provide a very high yield. Better guess fields based on the two-dimensional model allow the control to exploit different mechanisms providing a high control yield. By coupling the reaction surface to a bath, we confirm the link between the robustness of the field against dissipation and the time spent in the delocalized states above the transition barrier. C 2015 AIP Publishing LLC.[http://dx

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Non-Markovian effects on quantum optimal control of dissipative wave packet dynamics

Cited by 43 publications

References 50 publications

Optical Characteristics of Moth-Eye Structures on Poly(methyl methacrylate) and Polycarbonate Sheets Fabricated by Thermal Nanoimprinting Processes

Optical Characteristics of Moth-Eye Structures on Poly(methyl methacrylate) and Polycarbonate Sheets Fabricated by Thermal Nanoimprinting Processes

A Surrogate Hamiltonian study of femtosecond photodesorption of CO from NiO(100)

Optimal control of a Cope rearrangement by coupling the reaction path to a dissipative bath or a second active mode

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