Geometric phases have stimulated researchers for its potential applications in many areas of science. One of them is fault-tolerant quantum computation. A preliminary requisite of quantum computation is the implementation of controlled logic gates by controlled dynamics of qubits. In controlled dynamics, one qubit undergoes coherent evolution and acquires appropriate phase, depending on the state of other qubits. If the evolution is geometric, then the phase acquired depend only on the geometry of the path executed, and is robust against certain types of errors. This phenomenon leads to an inherently fault-tolerant quantum computation.
Here we suggest a technique of using non-adiabatic geometric phase for quantum computation, using selective excitation. In a two-qubit system, we selectively evolve a suitable subsystem where the control qubit is in state |1>, through a closed circuit. By this evolution, the target qubit gains a phase controlled by the state of the control qubit. Using these geometric phase gates we demonstrate implementation of Deutsch-Jozsa algorithm and Grover's search algorithm in a two-qubit system.
The adiabatic evolution is the dynamics of an instantaneous eigenstate of a slowly varing Hamiltonian. Recently, an interesting phenomenon shows up that white noises can enhance and even induce adiabaticity, which is in contrast to previous perception that environmental noises always modify and even ruin a designed adiabatic passage. We experimentally realized a noise-induced adiabaticity in a nuclear magnetic resonance system. Adiabatic Hadamard gate and entangled state are demonstrated. The effect of noise on adiabaticity is experimentally exhibited and compared with the noise-free process. …
The use of the nuclear spins surrounding electron spin qubits as quantum registers and long-lived memories opens the way to new applications in quantum information and biological sensing. Hence, there is a need for generic and robust forms of control of the nuclear registers. Although adiabatic gates are widely used in quantum information, they can become too slow to outpace decoherence. Here, we introduce a technique whereby adiabatic gates arise from the dynamical decoupling protocols that simultaneously extend coherence. We illustrate this pulse-based adiabatic control for nuclear spins aro…
We discover that the energy-integral of time-delay is an adiabatic invariant in quantum scattering theory and corresponds classically to the phase space volume. The integral thus found provides a quantization condition for resonances, explaining a series of results recently found in non-relativistic and relativistic regimes. Further, a connection between statistical quantities like quantal resonance-width and classical friction has been established with a classically deterministic quantity, the stability exponent of an adiabatically perturbed periodic orbit. This relation can be employed to es…
We show that the optical absorbance detection of nuclear spin echo gives direct access to the spin concentration, unlike most coherent signal detection techniques where the signal intensity/amplitude is difficult to connect experimentally with the spin concentration. This way we measure the spin refocusing efficiency in a crystal of Tm$^{3+}$:YAG. Given the large inhomogeneous broadening of the spin transition in this material, rephasing the spins with the usual hard pulse procedure would require excessively high radiofrequency power. Instead we resort to an adiabatic pulse sequence that perfe…
We simulated the quantum dynamics for magnetic resonance force microscopy (MRFM) in the oscillating cantilever-driven adiabatic reversals (OSCAR) technique. We estimated the frequency shift of the cantilever vibrations and demonstrated that this shift causes the formation of a Schrodinger cat state which has some similarities and differences from the conventional MRFM technique which uses cyclic adiabatic reversals of spins. The interaction of the cantilever with the environment is shown to quickly destroy the coherence between the two possible cantilever trajectories. We have shown that using…
We consider theoretically the novel technique in magnetic resonance force microscopy which is called ``oscillating cantilever-driven adiabatic reversals''. We present analytical and numerical analysis for the stationary cantilever vibrations in this technique. For reasonable values of parameters we estimate the resonant frequency shift as 6Hz per the Bohr magneton. We analyze also the regime of small oscillations of the paramagnetic moment near the transversal plane and the frequency shift of the damped cantilever vibrations.
The method of calculation of the resonance characteristics is developed for the metastable states of the Coulomb three-body (CTB) system with two disintegration channels. The energy dependence of K-matrix in the resonance region is calculated with the use of the stabilization method. Resonance position and partial widths are obtained by fitting the numerically calculated K(E)-matrix with the help of the generalized Breit-Wigner formula.
We propose a highly efficient dynamic nuclear polarization technique that is robust against field in-homogeneity. This technique is designed to enhance the detection sensitivity in nano-MRI, where large Rabi field gradients are required. The proposed technique consists of an adiabatic half passage pulse followed by an adiabatic linear sweep of the electron Rabi frequency and can be considered as an adiabatic version of nuclear orientation via electron spin locking (adiabatic-NOVEL). We analyze the spin dynamics of an electron-nuclear system that is under microwave irradiation at high static ma…
We propose schemes of controlled-Z and controlled-NOT gates with ultracold neutral atoms based on deterministic phase accumulation during double adiabatic passage of the Stark-tuned Förster resonance of Rydberg states. The effect of deterministic phase accumulation during double adiabatic passage in a two-level quantum system has been analyzed in detail. Adiabatic rapid passage using nonlinearly chirped pulses with rectangle intensity profile has been discussed. Nonlinear time dependence of the energy detuning from the Förster resonance is used to achieve a high fidelity of population transfer…
High-fidelity quantum operations are a key requirement for fault-tolerant quantum information processing. In electron spin resonance, manipulation of the quantum spin is usually achieved with time-dependent microwave fields. In contrast to the conventional dynamic approach, adiabatic geometric phase operations are expected to be less sensitive to certain kinds of noise and field inhomogeneities. Here, we investigate such phase gates applied to electron spins both through simulations and experiments, showing that the adiabatic geometric phase gate is indeed inherently robust against inhomogenei…
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherence in the trajectory surface hopping method and the inability of reproducing the spatial splitting of a nuclear wave packet in Ehrenfest-like dynamics. In the context of electronic non-adiabatic processes, these problems can result in wrong predictions for quantum populations and in unphysical outcomes for the nuclear dynamics. In this paper we propose a solution to these issues by approximating the coupled electronic…
The adiabatic condition governing cyclic adiabatic inversion of proton spins in a micron-sized ammonium chloride crystal was studied using room temperature nuclear magnetic resonance force microscopy. A systematic degradation of signal-to-noise was observed as the adiabatic condition became violated. A theory of adiabatic following applicable to cyclic adiabatic inversion is reviewed and implemented to quantitatively determine an adiabaticity threshold $(γH_1)^2/(ω_{osc}Ω) = 6.0$ from our experimental results.
We study a 2-qubit nuclear spin system for realizing an arbitrary geometric quantum phase gate by means of non-adiabatic operation. A single magnetic pulse with multi harmonic frequencies is applied to manipulate the quantum states of 2-qubit instantly. Using resonant transition approximation, the time dependent Hamiltonian of two nuclear spins can be solved analytically. The time evolution of the wave function is obtained without adiabatic approximation. The parameters of magnetic pulse, such as the frequency, amplitude, phase of each harmonic part as well as the time duration of the pulse, a…
We prove a robust extension of the quantum adiabatic theorem. The theorem applies to systems that have resonances instead of bound states, and to systems for which just an approximation to a bound state is known. To demonstrate the theorem's usefulness in a concrete situation, we apply it to shape resonances.
Adiabatic operations are powerful tools for robust quantum control in numerous fields of physics, chemistry and quantum information science. The inherent robustness due to adiabaticity can, however, be impaired in applications requiring short evolution times. We present a single versatile gradient-based optimization protocol that combines adiabatic control with effective Hamiltonian engineering in order to design adiabatic operations tailored to the specific imperfections and resources of an experimental setup. The practicality of the protocol is demonstrated by engineering a fast, 2.3 Rabi cy…
The smallness of the variation rate of the hamiltonian matrix elements compared to the (square of the) energy spectrum gap is usually believed to be the key parameter for a quantum adiabatic evolution. However it is only perturbatively valid for scaled timed hamiltonian and resonance processes as well as off resonance possible constructive Stückelberg interference effects violate this usual condition for general hamiltionian. More general adiabatic condition and exact bounds for adiabatic quantum evolution are derived and studied in the framework of a two-level system. The usual criterion is r…
In molecular photodissociation, some specific combinations of laser parameters (wavelength and intensity) lead to unexpected Zero-Width Resonances (ZWR), with in principle infinite lifetimes. Their interest in inducing basic quenching mechanisms have recently been devised in the laser control of vibrational cooling through filtration strategies [O. Atabek et al., Phys. Rev. A87, 031403(R) (2013)]. A full quantum adiabatic control theory based on the adiabatic Floquet Hamiltonian is developed to show how a laser pulse could be envelop-shaped and frequency-chirped so as to protect a given initia…
We investigate the effects of counterrotating terms on geometric phase and its relation to the resonance of the Rabi model. We apply the unitary transformation with a single parameter to the Rabi model and obtain the transformed Hamiltonian involving multiple harmonic terms. By combining the counter-rotating-hybridized rotating-wave method with time-dependent perturbation theory, we solve systematically time evolution operator and then obtain the geometric phase of the two-level system. Our results are beyond adiabatic approximation and rotating-wave approximation (RWA). Higher-order harmonic …
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and nuclei offered by the factorization of the electron-nuclear wave function [A. Abedi, N. T. Maitra and E. K. U. Gross, Phys. Rev. Lett., 105 (2010)]. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.
Robust Spin Polarization by Adiabatic Dynamical Decoupling
Cavendish Laboratory, University of Cambridge（剑桥大学卡文迪许实验室）；Department of Physical Chemistry, University of the Basque Country UPV/EHU（巴斯克大学物理化学系）；EHU Quantum Center, University of the Basque Country UPV/EHU（巴斯克大学EHU量子中心）；Department of Physical and Astronomy, University College London（伦敦大学学院物理与天文学系）；Leibniz Institute of Surface Engineering (IOM)（莱布尼茨表面工程研究所）
Nuclear-spin qubits have long coherence time and are desirably applied into quantum information processing. However, the existing methods either fail to address single nucleus (such as nuclear magnetic resonance), or severely affect nuclear coherence time (such as electrical nuclear manipulation based on hyperfine stark effect, ENMHSE). Here we propose an electrical nuclear manipulation called nuclear electric resonance which can on the one hand address the single nuclear qubit, and on the other keep the long coherence time. Applying this, we construct universal quantum gates with external ele…
We use microwave induced adiabatic passages for selective spin flips within a string of optically trapped individual neutral Cs atoms. We position-dependently shift the atomic transition frequency with a magnetic field gradient. To flip the spin of a selected atom, we optically measure its position and sweep the microwave frequency across its respective resonance frequency. We analyze the addressing resolution and the experimental robustness of this scheme. Furthermore, we show that adiabatic spin flips can also be induced with a fixed microwave frequency by deterministically transporting the …
In this thesis, it is presented a set of results in adiabatic dynamics (closed and open system) and transitionless quantum driving that promote some advances in our understanding on quantum control and Hamiltonian inverse engineering. In the context of adiabatic dynamics in closed systems, it is introduced a validation mechanism for the adiabaticity conditions by studing the system dynamics from a non-inertial reference frame. By considering a decohering scenario, validity conditions of the adiabatic approximation are also studied. As a fresh general result with potential applications, it is s…
Background: Solving nuclear many-body problems with an ab initio approach is widely recognized as a computationally challenging problem. Quantum computers offer a promising path to address this challenge. There are urgent needs to develop quantum algorithms for this purpose. Objective: In this work, we explore the application of the quantum algorithm of adiabatic state preparation with quantum phase estimation in ab initio nuclear structure theory. We focus on solving the low-lying spectra (including both the ground and excited states) of simple nuclear systems. Ideas: The efficiency of this a…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of the potential energy surfaces between wavepackets therefore usually have to be approximated. It is shown, that if a modified form of valence bond theory is used instead of the usual MO-based theories, the matrix elements can be obtained exactly. This is so because the molecular Hamiltonian only contains the Coulomb potential, for which matrix elements between …
We investigate the non-adiabatic implementation of an adiabatic quantum teleportation protocol, finding that perfect fidelity can be achieved through resonance. We clarify the physical mechanisms of teleportation, for three qubits, by mapping their dynamics onto two parallel and mutually-coherent adiabatic passage channels. By transforming into the adiabatic frame, we explain the resonance by analogy with the magnetic resonance of a spin-1/2 particle. Our results establish a fast and robust method for transferring quantum states, and suggest an alternative route toward high precision quantum g…
We consider the adiabatic demagnetization in the rotating reference frame (ADRF) of a system of dipolar coupled nuclear spins $s=1/2$ in the external magnetic field. The demagnetization starts with the offset of the external magnetic field (in frequency units) from the Larmor frequency being several times greater than the local dipolar field. For different subsystem sizes, we have found from numerical simulations the temperatures at which subsystems of a one-dimensional nine-spin chain and a plane nine-spin cluster become entangled. These temperatures are of the order of microkelvins and are a…
We report here the experimental realization of multi-step cooling of a quantum system via heat-bath algorithmic cooling. The experiment was carried out using nuclear magnetic resonance (NMR) of a solid-state ensemble three-qubit system.
Here we describe a Nuclear Magnetic Resonance (NMR) experiment that uses a three qubit NMR device to implement the one to two approximate quantum cloning network of Buzek et al.
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear configurations. The electron-nucleus Hamiltonian is block-diagonalized up to $\mathcal{O}(\varepsilon^{n+1})$ through a unitary transformation of the electronic subspace and the corresponding $n$th-order effective Hamiltonian is derived for the quantum nuclear motion. Explicit but general formulae are given for the second- and the third-order corrections. As a …
We model the evolution of a single atom in a cavity interacting with two lasers, one far off resonance which creates an optical potential lattice and one near resonance, which can interact with the atom. The atom may tunnel between sites in the lattice. We find the photon counting statistic $g^{(2)}(τ)$ depends on the tunneling rate. Additionally we derive methods to work with a Bose-Einstein Condensate in the same situation, in ther Josephson junction regime. It is shown that oscillations in $g^{(2)}(τ)$ are directly proportional to the tunneling coefficient. We work in the bad-cavity limit a…
Quantum decoherence has been studied using nuclear magnetic resonance(NMR). By choosing one qubit to simulate environment, we examine the decoherence behavior of two quantum systems: a one qubit system and a two qubit system. The experimental results show agreements with the theoretical predictions. Our experiment schemes can be generalized to the case that the environment is composed of multiple qubits.
According to the theoretical results, the quantum searching algorithm can be generalized by replacing the Walsh-Hadamard(W-H) transform by almost any quantum mechanical operation. We have implemented the generalized algorithm using nuclear magnetic resonance techniques with a solution of chloroform molecules. Experimental results show the good agreement between theory and experiment.
The quantum clock synchronization algorithm proposed by I. L. Chuang (Phys. Rev. Lett, 85, 2006(2000)) has been implemented in a three qubit nuclear magnetic resonance quantum system. The effective-pure state is prepared by the spatial averaging approach. The time difference between two separated clocks can be determined by reading out directly through the NMR spectra.
It is demonstrated that nuclear magnetic resonance experiments using pseudopure spin states can give possible outcomes of projective quantum measurement and probabilities of such outcomes. The physical system is a cluster of six dipolar-coupled nuclear spins of benzene in a liquid-crystalline matrix. For this system with the maximum total spin S=3, the results of measuring $S_X$ are presented for the cases when the state of the system is one of the eigenstates of $S_Z$.
We propose a nuclear spin quantum computer based on magnetic resonance force microscopy (MRFM). It is shown that an MRFM single-electron spin measurement provides three essential requirements for quantum computation in solids: (a) preparation of the ground state, (b) one- and two- qubit quantum logic gates, and (c) a measurement of the final state. The proposed quantum computer can operate at temperatures up to 1K.
We study the approach to the adiabatic limit in periodically driven systems. Specifically focusing on a spin-1/2 in a magnetic field we find that, when the parameters of the Hamiltonian lead to a quasi-degeneracy in the Floquet spectrum, the evolution is not adiabatic even if the frequency of the field is much smaller than the spectral gap of the Hamiltonian. We argue that this is a general phenomenon of periodically driven systems. Although an explanation based on a perturbation theory in $ω_0$ cannot be given, because of the singularity of the zero frequency limit, we are able to describe th…
Artificial interface conditions parametrized by a complex number $θ_{0}$ are introduced for 1D-Schrödinger operators. When this complex parameter equals the parameter $θ\in i\R$ of the complex deformation which unveils the shape resonances, the Hamiltonian becomes dissipative. This makes possible an adiabatic theory for the time evolution of resonant states for arbitrarily large time scales. The effect of the artificial interface conditions on the important stationary quantities involved in quantum transport models is also checked to be as small as wanted, in the polynomial scale $(h^N)_{N\in …
Mean-field approach has recently been used to model coupled atom-molecular Bose-Einstein condensates (BEC) and coupled Fermi-Bose condensates near Feshbach resonance. Sweeping of magnetic field across the resonance gives a new (nonlinear) version of Landau-Zener problem. We investigate the structure of the corresponding classical phase space and calculate change in the action which corresponds to finite-rate efficiency of the sweep. We consider the case of non-zero initial action, which corresponds to some finite initial molecular fraction.
We develop the theory for the Adiabatic Raman Photoassociation (ARPA) of ultracold atoms to form ultracold molecules in the presence of scattering resonances. Based on a computational method in which we replace the continuum with a discrete set of "effective modes", we show that the existence of resonances greatly aids in the formation of deeply bound molecular states. We illustrate our general theory by computationally studying the formation of $^{85}$Rb$_2$ molecules from pairs of colliding ultracold $^{85}$Rb atoms. The single-event transfer yield is shown to have a near-unity value for wid…
We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiabatic RPMD (SM-NRPMD), is based on the spin-mapping formalism for the electronic degrees of freedom (DOFs) and ring polymer path-integral description for the nuclear DOFs. Using the Stratonovich-Weyl transform for the electronic DOFs, and the Wigner transform for the nuclear DOFs, we derived an exact expression of the Kubo-transformed time-correlation function (TCF). We further derive the spin mapping non-adiabatic Mat…
The decomposition of electronic and nuclear motion presented in~[A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion and fully accounts for the coupling to the electronic subsystem. Here we show that propagation of an ensemble of independent classical nuclear trajectories on this exact potential yields dynamics that are essentially indistinguishable from the exact quantum dynamics for a model non-adiabatic charge transfer problem. We point out the importance of step and bump features in the exact pote…
High-fidelity entangled Bell states are of great interest in quantum physics. Entanglement of ultracold neutral atoms in two spatially separated optical dipole traps is promising for implementation of quantum computing and quantum simulation and for investigation of Bell states of material objects. We propose a new method to entangle two atoms via long-range Rydberg-Rydberg interaction. Alternatively to previous approaches, based on Rydberg blockade, we consider radiofrequency-assisted Stark-tuned Förster resonances in Rb Rydberg atoms. To reduce the sensitivity of the fidelity of Bell states …
We investigate the exact wavefunction as a single product of electronic and nuclear wavefunction for a model conical intersection system. Exact factorized spiky potentials and nodeless nuclear wavefunctions are found. The exact factorized potential preserves the symmetry breaking effect when the coupling mode is present. Additionally the nodeless wavefunctions are found to be closely related to the adiabatic nuclear eigenfunctions. This phenomenon holds even for the regime where the non-adiabatic coupling is relevant, and sheds light on the relation between the exact wavefunction factorization…
Exact and asymptotic lineshape expressions are derived from the semi-classical density matrix representation describing a set of closed three-level atomic or molecular states including decoherences, relaxation rates and light-shifts. An accurate analysis of the exact steady-state Dark Resonance profile describing the Autler-Townes doublet, the Electromagnetically Induced Transparency or Coherent Population Trapping resonance and the Fano-Feshbach lineshape, leads to the linewidth expression of the two-photon Raman transition and frequency-shifts associated to the clock transition. From an adia…
The choice of the electronic representation in on-the-fly quantum dynamics is crucial. The adiabatic representation is appealing since adiabatic states are readily available from quantum chemistry packages. The nuclear wavepackets are then expanded in a basis of Gaussian functions, which follow trajectories to explore the potential energy surfaces and approximate the potential using a local expansion of the adiabatic quantities. Nevertheless, the adiabatic representation is plagued with severe limitations when conical intersections are involved: the diagonal Born-Oppenheimer corrections (DBOCs…
H$_2^+$ is an ideal candidate for a detailed study of strong field coherent control strategies inspired by basic mechanisms referring to some specific photodissociation resonances. Two of them are considered in this work, namely: Zero-width resonances (ZWR) on one hand, and coalescing pairs of resonances at exceptional points (EP) on the other hand. An adiabatic transport theory based on Floquet Hamiltonian formalism is developed within the challenging context of multiphoton dynamics involving nuclear continua. It is shown that a rigorous treatment is only possible for ZWRs, whereas adiabatic …
We investigate superradiant-like dynamics of the nuclear-spin bath in a single-electron quantum dot, by considering electrons cyclically shuttling on/off an isotopically enriched `nuclear-spin island'. Assuming a uniform hyperfine interaction, we discuss in detail the nuclear spin evolution under shuttling and its relation to superradiance. We derive the minimum shuttling time which allows to escape the adiabatic spin evolution. Furthermore, we discuss slow/fast shuttling under the inhomogeneous field of a nearby micromagnet. Finally, by comparing our scheme to a model with stationary quantum …
We present a new non-adiabatic ring polymer molecular dynamics (NRPMD) method based on the spin mapping formalism, which we refer to as the spin-mapping NRPMD (SM-NRPMD) approach. We derive the path-integral partition function expression using the spin coherent state basis for the electronic states and the ring polymer formalism for the nuclear degrees of freedom (DOFs). This partition function provides an efficient sampling of the quantum statistics. Using the basic property of the Stratonovich-Weyl transformation, we derive a Hamiltonian which we propose for the dynamical propagation of the …
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical intersections introduce non-trivial geometric or Berry phases which require a special treatment for adequate modelling of the nuclear dynamics. We analyze two approaches for nonadiabatic dynamics using the time-dependent variational principle and the adiabatic representation. The first approach employs adiabatic electronic functions with global parametric dependence on…
Nuclear interference by electronic de-orthogonalisation
Max Planck Institute for the Structure and Dynamics of Matter（马克斯·普朗克物质结构与动力学研究所）；Tsientang Institute of Advanced Study, Hangzhou（杭州千唐高等研究院）；Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem（耶路撒冷希伯来大学化学系弗里茨·哈伯分子动力学中心）
