Superoperators for NMR1. Levitt M.H, Spin Dynamics Basics of Nuclear Magnetic Resonance, John Wiley...
Transcript of Superoperators for NMR1. Levitt M.H, Spin Dynamics Basics of Nuclear Magnetic Resonance, John Wiley...
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Osama Usman June 15, 2012
Superoperators for NMR Quantum Information
Processing
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Outline
1 Prerequisites
2 Relaxation and spin Echo
3 Spherical Tensor Operators
4 Superoperators
5 My research work
6 References.
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NMR
• NMR is a phenomenon in which the resonance frequencies of nuclear magnetic systems are investigated.
• NMR always employs some form of magnetic field (usually a strong externally applied field B0 and a RF field)
• Nucleis have a magnetic moment and spin angular momentum
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Random direction of spin polarization in the absence of magnetic field.
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Net magnetic moment from small
excess of Nuclei in +1/2 state. -1/2
M0
x
y
B0 Applied magnetic field
Spin States Split in the presence of B0
+1/2
z
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Longitudinal and Transverse Magnetizations
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Most commonly studied nuclei
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Applications of NMR
• Physics Condensed matter physics • Chemistry Identification of material • Biophysics Analysis of Protein structure • Medical MRI (Magnetic Resonance Image)
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Interactions in NMR
Internal Interactions
External Interactions
NRM Interactions
1. Chemical shift 1. Applied Magnetic field 2. J-Coupling 2. RF field 3. DD-Coupling
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Relaxation
• T1 spin-lattice (relaxing back to precessing
about the z axis) Recovery of Z component of magnetization. • T2 spin-spin (fanning out) Decay of x , y component of magnetization.
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Spin Echo
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Density Matrix Formalism • A tool used to describe the state of a spin ensemble, as
well as its evolution in time.
• Average of any observable
• For any state
Diagonal elements = probabilities
Off-diagonal elements = "coherences" (provide info. about relative phase)
[1]
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Spherical tensor operators.
• Tensors are very useful simplifying tools that encountered in spherical symmetric problems.
• Any spherical tensor operator can be found by • Commutation relations with angular momentum
operator.
[2]
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Transformation of Spherical tensor operators
Wigner rotation matrices
Reduced rotation matrix elements
[2]
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Total Hamiltonian in terms of Spherical tensor operators.
[3]
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Superoperators • Liouville-von Neumann equation
• We define a superoperator
[4]
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Matrix representation of Superoperators
Superoperators belong to the superoperator space.
The difference between the Superoperator space and
Hilbert space is dimensionality.
Different physical conditions.
Matrix representation
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Table
Name Continuous representation
Continuous scalar product
Discrete representation
Discrete scalar product
Superoperator Space
superoperators n²×n² matrices
Liouville space operators, Density matrices
n×n matrices
Hilbert space wavefunctions n ‐vectors
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Long lived Singlet states in solution NMR
Two coupled spins Singlet and Triplet states
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Density operator for Spin pair
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Equation of Motion
Coherent Effects Incoherent Effects
Liouvillian Space operator
Dipole-dipole relaxation
External random field relaxation
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Relaxation Superoperator
Autocorrelation function Correlation time
For DD-relaxation
For ERF-relaxation
[5]
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Relaxation of singlet-state population
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Final matrix of the coherent Liouvillian Superoperator.
• Shows the conversion of singlet population to singlet-triplet zero-quantum coherence then to triplet population.
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Final matrix of the evolution of spin density operator.
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Signal Obtained
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Advantages and applications of long-lived states
Store information up to 40 times longer than T1.
Can be created in both high or low magnetic fields, the
latter case very interesting for applications on humans.
For the study of molecular transportation and storage
of polarized nuclear spin coherence.
Can be used for the investigation of slow-cross
relaxation between different molecules in solutions.
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NMR for Quantum Information
Advantages Disadvantages 1. Physics of NMR 1. Noisy signal is well described. 2. Long decoherence times 2. No entanglement. 3. Small quantum computer 3. Limited measurement. is easy to construct.
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Why NMR?
A major requirement of a quantum information/computer is that the coherence should last long.
Nuclear spins in liquids retain coherence ~ 100’s millisec and their longitudinal state for several seconds.
A system of N coupled spins (each spin 1/2) form an N qubit Quantum Computer.
Unitary Transform can be applied using R.F. Pulses and various logical operations and quantum algorithms can be implemented. [7]
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References
1. Levitt M.H, Spin Dynamics Basics of Nuclear Magnetic Resonance, John Wiley & Sons Ltd, 2001.
2. C.P. Slichter. Principles of Magnetic Resonance. Harper , Row, 1963.
3. Melinda J. D, Introduction to Solid-State NMR Spectroscopy, John Wiley & Sons Ltd, 2004.
4. Mayne C.L, Liouville Equation of Motion, Encycl. Nucl. Mag. Res, 2717-2730.
5. M. Carravetta and M. H. Levitt. Theory of long-lived nuclear spin states in solution nuclear magnetic resonance. i. singlet states in low magnetic field. J. Chem. Phys., 122:214505, 2005.
6. Jeener J, Superoperators in Magnetic Resonance, Adv. Mag. Res, 10 (1982), 1-51.
7. Jones J.A, Quantum Computing with NMR, Prog. NMR Spectrosc. 38,325-360(2001).
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THANKS FOR YOUR PATIENCE
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