arXiv subjects

Sabre Kais

Publications and source records attributed to Sabre Kais.

At least 199 records · Page 11Linked to original sources

arXiv2012

Universal Programmable Quantum Circuit Schemes to Emulate an Operator

Unlike fixed designs, programmable circuit designs support an infinite number of operators. The functionality of a programmable circuit can be altered by simply changing the angle values of the rotation gates in the circuit. Here, we present a new quantum circuit design technique resulting in two general programmable circuit schemes. The circuit schemes can be used to simulate any given operator by setting the angle values in the circuit. This provides a fixed circuit design whose angles are determined from the elements of the given matrix-which can be non-unitary-in an efficient way. We also give both the classical and quantum complexity analysis for these circuits and show that the circuits require a few classical computations. They have almost the same quantum complexities as non-general circuits. Since the presented circuit designs are independent from the matrix decomposition techniques and the global optimization processes used to find quantum circuits for a given operator, high accuracy simulations can be done for the unitary propagators of molecular Hamiltonians on quantum computers. As an example, we show how to build the circuit design for the hydrogen molecule.

quant-ph↗

arXiv2012

Quantum algorithm and circuit design solving the Poisson equation

The Poisson equation occurs in many areas of science and engineering. Here we focus on its numerical solution for an equation in d dimensions. In particular we present a quantum algorithm and a scalable quantum circuit design which approximates the solution of the Poisson equation on a grid with error \varepsilon. We assume we are given a supersposition of function evaluations of the right hand side of the Poisson equation. The algorithm produces a quantum state encoding the solution. The number of quantum operations and the number of qubits used by the circuit is almost linear in d and polylog in \varepsilon^{-1}. We present quantum circuit modules together with performance guarantees which can be also used for other problems.

quant-ph↗

arXiv2012

Population and Coherence Dynamics in Light Harvesting Complex II (LH2)

The electronic excitation population and coherence dynamics in the chromophores of the photosynthetic light harvesting complex 2 (LH2) B850 ring from purple bacteria (Rhodopseudomonas acidophila) have been studied theoretically at both physiological and cryogenic temperatures. Similar to the well-studied Fenna-Matthews-Olson (FMO) protein, oscillations of the excitation population and coherence in the site basis are observed in LH2 by using a scaled hierarchical equation of motion (HEOM) approach. However, this oscillation time (300 fs) is much shorter compared to the FMO protein (650 fs) at cryogenic temperature. Both environment and high temperature are found to enhance the propagation speed of the exciton wave packet yet they shorten the coherence time and suppress the oscillation amplitude of coherence and the population. Our calculations show that a long-lived coherence between chromophore electronic excited states can exist in such a noisy biological environment.

physics.chem-ph↗

arXiv2012

Designing Efficient Programmable Quantum Circuits

Constructing general programmable circuits to be able to run any given unitary operator efficiently on a quantum processor is of fundamental importance. We present a new quantum circuit design technique resulting two general programmable circuit schemes. The circuit schemes can be used to simulate any given operator by setting the angle values in the circuit. This provides a fixed circuit design whose angles are determined from the elements of the given matrix, which can be non-unitary, in an efficient way. We also give both classical and quantum complexity analysis for these circuits and show that the circuits require a few classical computations, and the quantum complexities of them are almost the same as non-general circuits.

quant-ph↗

arXiv2012

Multipartite Quantum Entanglement Evolution in Photosynthetic Complexes

We investigate the evolution of entanglement in the Fenna-Matthew-Olson (FMO) complex based on simulations using the scaled hierarchy equation of motion (HEOM) approach. We examine the role of multipartite entanglement in the FMO complex by direct computation of the convex roof optimization for a number of measures, including some that have not been previously evaluated. We also consider the role of monogamy of entanglement in these simulations. We utilize the fact that the monogamy bounds are saturated in the single exciton subspace. This enables us to compute more measures of entanglement exactly and also to validate the evaluation of the convex roof. We then use direct computation of the convex roof to evaluate measures that are not determined by monogamy. This approach provides a more complete account of the entanglement in these systems than has been available to date. Our results support the hypothesis that multipartite entanglement is maximum primary along the two distinct electronic energy transfer pathways.

physics.chem-ph↗

arXiv2012

Tuning entanglement and ergodicity in two-dimensional spin systems using impurities and anisotropy

We consider the entanglement in a two dimensional XY model in an external magnetic field h. The model consists of a set of 7 localized spin-1/2 particles in a two dimensional triangular lattice coupled through nearest neighbor exchange interaction J. We examine the effect of single and double impurities in the system as well as the degree of anisotropy on the nearest neighbor entanglement and ergodicity of the system. We have found that the entanglement of the system at the different degrees of anisotropy mimics that of the one dimensional spin systems at the extremely small and large values of the parameter h/J. The entanglement of the Ising and partially anisotropic system show phase transition in the vicinity of h/J = 2 while the entanglement of the isotropic system suddenly vanishes there. Also we investigate the dynamic response of the system containing single and double impurities to an external exponential magnetic field at different degrees of anisotropy. We have demonstrated that the ergodicity of the system can be controlled by varying the strength and location of the impurities as well as the degree of anisotropy of the coupling.

cond-mat.str-el↗

arXiv2012

Finite size scaling for quantum criticality using the finite-element method

Finite size scaling for the Schrödinger equation is a systematic approach to calculate the quantum critical parameters for a given Hamiltonian. This approach has been shown to give very accurate results for critical parameters by using a systematic expansion with global basis-type functions. Recently, the finite element method was shown to be a powerful numerical method for ab initio electronic structure calculations with a variable real-space resolution. In this work, we demonstrate how to obtain quantum critical parameters by combining the finite element method (FEM) with finite size scaling (FSS) using different ab initio approximations and exact formulations. The critical parameters could be atomic nuclear charges, internuclear distances, electron density, disorder, lattice structure, and external fields for stability of atomic, molecular systems and quantum phase transitions of extended systems. To illustrate the effectiveness of this approach we provide detailed calculations of applying FEM to approximate solutions for the two-electron atom with varying nuclear charge; these include Hartree-Fock, density functional theory under the local density approximation, and an "exact"' formulation using FEM. We then use the FSS approach to determine its critical nuclear charge for stability; here, the size of the system is related to the number of elements used in the calculations. Results prove to be in good agreement with previous Slater-basis set calculations and demonstrate that it is possible to combine finite size scaling with the finite-element method by using ab initio calculations to obtain quantum critical parameters. The combined approach provides a promising first-principles approach to describe quantum phase transitions for materials and extended systems.

quant-ph↗

arXiv2011

Dimensional Scaling Treatment with Relativistic Corrections for Stable Multiply Charged Atomic Ions in High-Frequency Super-Intense Laser Fields

We present a theoretical framework which describes multiply-charged atomic ions, their stability within super-intense laser fields,also lay corrections to the systems due to relativistic effects. Dimensional scaling calculations with relativistic corrections for systems: H, H$^{-}$, H$^{2-}$, He, He$^{-}$, He$^{2-}$, He$^{3-}$ within super-intense laser fields were completed. Also completed were three-dimensional self consistent field calculations to verify the dimensionally scaled quantities. With the aforementioned methods the system's ability to stably bind 'additional' electrons through the development of multiple isolated regions of high potential energy leading to nodes of high electron density is shown. These nodes are spaced far enough from each other to minimized the electronic repulsion of the electrons, while still providing adequate enough attraction so as to bind the excess elections into orbitals. We have found that even with relativistic considerations these species are stably bound within the field. It was also found that performing the dimensional scaling calculations for systems within the confines of laser fields to be a much simpler and more cost-effective method than the supporting D=3 SCF method. The dimensional scaling method is general and can be extended to include relativistic corrections to describe the stability of simple molecular systems in super-intense laser fields.

quant-ph↗

arXiv2011

Entanglement of polar symmetric top molecules as candidate qubits

Proposals for quantum computing using rotational states of polar molecules as qubits have previously considered only diatomic molecules. For these the Stark effect is second-order, so a sizable external electric field is required to produce the requisite dipole moments in the laboratory frame. Here we consider use of polar symmetric top molecules. These offer advantages resulting from a first-order Stark effect, which renders the effective dipole moments nearly independent of the field strength. That permits use of much lower external field strengths for addressing sites. Moreover, for a particular choice of qubits, the electric dipole interactions become isomorphous with NMR systems for which many techniques enhancing logic gate operations have been developed. Also inviting is the wider chemical scope, since many symmetric top organic molecules provide options for auxiliary storage qubits in spin and hyperfine structure or in internal rotation states.

quant-ph↗

arXiv2011

Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically

We made use of supersymmetric (SUSY) quantum mechanics to find a condition under which the Stark effect problem for a polar and polarizable closed-shell diatomic molecule subject to collinear electrostatic and nonresonant radiative fields becomes exactly solvable. The condition, $Δω= \frac{ω^2}{4 (m+1)^2}$, connects values of the dimensionless parameters $ω$ and $Δω$ that characterize the strengths of the permanent and induced dipole interactions of the molecule with the respective fields. The exact solutions are obtained for the $|\tilde{J}=m,m;ω,Δω>$ family of "stretched" states. The field-free and strong-field limits of the combined-fields problem were found to exhibit supersymmetry and shape-invariance, which is indeed the reason why they are analytically solvable. By making use of the analytic form of the $|\tilde{J}=m,m;ω,Δω>$ wavefunctions, we obtained simple formulae for the expectation values of the space-fixed electric dipole moment, the alignment cosine, the angular momentum squared, and derived a "sum rule" which combines the above expectation values into a formula for the eigenenergy. The analytic expressions for the characteristics of the strongly oriented and aligned states provide a direct access to the values of the interaction parameters required for creating such states in the laboratory.

physics.chem-ph↗

arXiv2011

Supersymmetric factorization yields exact solutions to the molecular Stark effect problem for "stretched" states

By invoking supersymmetry, we found a condition under which the Stark effect problem for a polar and polarizable molecule subject to nonresonant electric fields becomes exactly solvable. The exact solvability condition for the interaction parameters involved yields exact wavefunction for the "stretched" states, $|J=m,m>$, and for the $|1,1>$ state in the case of a purely induced-dipole interaction. The analytic expressions for the eigenenergy, the space-fixed dipole moment, the alignment cosine, and the expectation value of the angular momentum allow to readily reverse-engineer the problem of finding the values of the interaction parameters required for creating quantum states with preordained characteristics.

physics.chem-ph↗

arXiv2011

Entanglement dynamics of one-dimensional driven spin systems in time-varying magnetic fields

We study the dynamics of entanglement for a one-dimensional spin chain with a nearest neighbor time dependent Heisenberg coupling J(t) between the spins in presence of a time dependent external magnetic field h(t) at zero and finite temperatures. We consider different forms of time dependence for the coupling and magnetic field; exponential, hyperbolic and periodic. We examined the system size effect on the entanglement asymptotic value. It was found that for a small system size the entanglement starts to fluctuate within a short period of time after applying the time dependent coupling. The period of time increases as the system size increases and disappears completely as the size goes to infinity. We also found that when J(t) is periodic the entanglement shows a periodic behavior with the same period, which disappears upon applying periodic magnetic field with the same frequency. Solving the particular case where J(t) and h(t) are proportional exactly, we showed that the asymptotic value of entanglement depends only on the initial conditions regardless of the form of J(t) and h(t) applied at t > 0.

quant-ph↗

arXiv2011

Entanglement of polar molecules in pendular states

In proposals for quantum computers using arrays of trapped ultracold polar molecules as qubits, a strong external field with appreciable gradient is imposed in order to prevent quenching of the dipole moments by rotation and to distinguish among the qubit sites. That field induces the molecular dipoles to undergo pendular oscillations, which markedly affect the qubit states and the dipole-dipole interaction. We evaluate entanglement of the pendular qubit states for two linear dipoles, characterized by pairwise concurrence, as a function of the molecular dipole moment and rotational constant, strengths of the external field and the dipole-dipole coupling, and ambient temperature. We also evaluate a key frequency shift, $\triangleω$, produced by the dipole-dipole interaction. Under conditions envisioned for the proposed quantum computers, both the concurrence and $\triangleω$ become very small for the ground eigenstate. In principle, such weak entanglement can be sufficient for operation of logic gates, provided the resolution is high enough to detect the $\triangleω$ shift unambiguously. In practice, however, for many candidate polar molecules it appears a challenging task to attain adequate resolution. Simple approximate formulas fitted to our numerical results are provided from which the concurrence and $\triangleω$ shift can be obtained in terms of unitless reduced variables.

quant-ph↗

arXiv2011

Dynamics of entanglement in a two-dimensional spin system

We consider the time evolution of entanglement in a finite two dimensional transverse Ising model. The model consists of a set of 7 localized spin-1/2 particles in a two dimensional triangular lattice coupled through nearest neighbor exchange interaction in presence of an external time dependent magnetic field. The magnetic field is applied in different function forms: step, exponential, hyperbolic and periodic. We found that the time evolution of the entanglement shows an ergodic behavior under the effect of the time dependent magnetic fields. Also we found that while the step magnetic field causes great disturbance to the system creating rabid oscillations, the system shows great controllability under the effect of the other magnetic fields where the entanglement profile follows closely the shape of the applied field even with the same frequency for periodic fields. This follow up trend breaks down as the strength of the field, the transition constant for exponential and hyperbolic, or frequency for periodic field increase leading to rapid oscillations. We observed that the entanglement is very sensitive to the initial value of the applied periodic field, the smaller the initial value the less distorted is the entanglement profile. Furthermore, the effect of thermal fluctuations is very devastating to the entanglement which decays very rapidly as the temperature increases. Interestingly, although large value of the magnetic field strength may yield small entanglement, it was found to be more persistent against thermal fluctuations than the small field strengths.

quant-ph↗

arXiv2011

Group Leaders Optimization Algorithm

We present a new global optimization algorithm in which the influence of the leaders in social groups is used as an inspiration for the evolutionary technique which is designed into a group architecture. To demonstrate the efficiency of the method, a standard suite of single and multidimensional optimization functions along with the energies and the geometric structures of Lennard-Jones clusters are given as well as the application of the algorithm on quantum circuit design problems. We show that as an improvement over previous methods, the algorithm scales as N^2.5 for the Lennard-Jones clusters of N-particles. In addition, an efficient circuit design is shown for two qubit Grover search algorithm which is a quantum algorithm providing quadratic speed-up over the classical counterpart.

cs.NE↗

arXiv2011

Modified-scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes

We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna-Matthews-Olson (FMO) pigment-protein complex, using the new developed modified scaled hierarchical approach [Shi Q. et al, J Chem Phys 2009, 130, 084105]. We show that this approach is computationally more efficient than the original hierarchical approach. The modified approach reduces the truncation levels of the auxiliary density operators and the correlation function. We provide a systematic study of how the number of auxiliary density operators and the higher-order correlation functions affect the exciton dynamics. The time scales of the coherent beating are consistent with experimental observations. Furthermore, our theoretical results exhibit population beating at physiological temperature. Additionally, the method does not require a low-temperature correction to obtain the correct thermal equilibrium at long times.

physics.chem-ph↗

arXiv2010

Finite Size Scaling for Criticality of the Schrödinger Equation

By solving the Schrödinger equation one obtains the whole energy spectrum, both the bound and the continuum states. If the Hamiltonian depends on a set of parameters, these could be tuned to a transition from bound to continuum states. The behavior of systems near the threshold, which separates bound-states from continuum states, is important in the study of such phenomenon as: ionization of atoms and molecules, molecule dissociation, scattering collisions and stability of matter. In general, the energy is non-analytic as a function of the Hamiltonian parameters or a bound-state does not exist at the threshold energy. The overall goal of this chapter is to show how one can predict, generate and identify new class of stable quantum systems using large-dimensional models and the finite size scaling approach. Within this approach, the finite size corresponds not to the spatial dimension but to the number of elements in a complete basis set used to expand the exact eigenfunction of a given Hamiltonian. This method is efficient and very accurate for estimating the critical parameters, $\{λ_i\}$, for stability of a given Hamiltonian, $H(λ_i)$. We present two methods of obtaining critical parameters using finite size scaling for a given quantum Hamiltonian: The finite element method and the basis set expansion method.

quant-ph↗

arXiv2010

Entanglement Switch for Dipole Arrays

We propose a new entanglement switch of qubits consisting of electric dipoles, oriented along or against an external electric field and coupled by the electric dipole-dipole interaction. The pairwise entanglement can be tuned and controlled by the ratio of the Rabi frequency and the dipole-dipole coupling strength. Tuning the entanglement can be achieved for one, two and three-dimensional arrangements of the qubits. The feasibility of building such an entanglement switch is also discussed.

quant-ph↗