Tensor Operator
Tensor Operator
In pure and applied mathematics, quantum mechanics and computer graphics, a tensor operator generalizes the
notion of operators which are scalars and vectors. A special class of these are spherical tensor operators which
apply the notion of the spherical basis and spherical harmonics. The spherical basis closely relates to the description
of angular momentum in quantum mechanics and spherical harmonic functions. The coordinate-free generalization
of a tensor operator is known as a representation operator.[1]
Contents
The general notion of scalar, vector, and tensor operators
Rotations of quantum states
Quantum rotation operator
Angular momentum eigenkets
Rotation of tensor operators
Scalar operators
Vector operators
Spherical vector operators
Tensor operators and their reducible and irreducible representations
Spherical tensor operators
Angular momentum and spherical harmonics
Orbital angular momentum and spherical harmonics
Spherical tensor operators and quantum spin
Applications
Dipole radiative transitions in a single-electron atom (alkali)
Magnetic resonance
Image processing and computer graphics
See also
References
Notes
Sources
Further reading
External links
In the same way, tensor quantities must be represented by tensor operators. An example of a tensor quantity (of rank
two) is the electrical quadrupole moment of the above molecule. Likewise, the octupole and hexadecapole moments
would be tensors of rank three and four, respectively.
Other examples of scalar operators are the total energy operator (more commonly called the Hamiltonian), the
potential energy, and the dipole-dipole interaction energy of two atoms. Examples of vector operators are the
momentum, the position, the orbital angular momentum, , and the spin angular momentum, . (Fine print: Angular
momentum is a vector as far as rotations are concerned, but unlike position or momentum it does not change sign
under space inversion, and when one wishes to provide this information, it is said to be a pseudovector.)
Scalar, vector and tensor operators can also be formed by products of operators. For example, the scalar product
of the two vector operators, and , is a scalar operator, which figures prominently in discussions of the spin-
orbit interaction. Similarly, the quadrupole moment tensor of our example molecule has the nine components
Here, the indices and can independently take on the values 1, 2, and 3 (or , , and ) corresponding to the three
Cartesian axes, the index runs over all particles (electrons and nuclei) in the molecule, is the charge on particle
, and is the th component of the position of this particle. Each term in the sum is a tensor operator. In
particular, the nine products together form a second rank tensor, formed by taking the direct product of the
vector operator with itself.
The rotation operator about the unit vector n (defining the axis of rotation) through angle θ is
where J = (Jx, Jy, Jz) are the rotation generators (also the angular momentum matrices):
and let be a rotation matrix. According to the Rodrigues' rotation formula, the rotation operator then
amounts to
The orthonormal basis set for total angular momentum is , where j is the total angular momentum quantum
number and m is the magnetic angular momentum quantum number, which takes values −j, −j + 1, ..., j − 1, j. A
general state
we have
For the case of orbital angular momentum, the eigenstates of the orbital angular momentum operator L and
solutions of Laplace's equation on a 3d sphere are spherical harmonics:
where Pℓm is an associated Legendre polynomial, ℓ is the orbital angular momentum quantum number, and m is the
orbital magnetic quantum number which takes the values − ℓ , − ℓ + 1, ... ℓ − 1, ℓ The formalism of spherical
harmonics have wide applications in applied mathematics, and are closely related to the formalism of spherical
tensors, as shown below.
Spherical harmonics are functions of the polar and azimuthal angles, ϕ and θ respectively, which can be
conveniently collected into a unit vector n(θ, ϕ) pointing in the direction of those angles, in the Cartesian basis it is:
So a spherical harmonic can also be written . Spherical harmonic states rotate according to the
inverse rotation matrix U(R−1 ), while rotates by the initial rotation matrix .
Now as,
→ →
we have,
since, is arbitrary,
Scalar operators
This is equivalent to saying a scalar operator commutes with the rotation generators:
kinetic energy T:
the spin-orbit coupling:
Vector operators
Vector operators (as well as pseudovector operators) are a set of 3 operators that can be rotated according to:[2]
from this and the infinitesimal rotation operator and its Hermitian conjugate, and ignoring second order term in
,one can derive the commutation relation with the rotation generator:
where εijk is the Levi-Civita symbol, which all vector operators must satisfy, by construction. As the symbol εijk is a
pseudotensor, pseudovector operators are invariant up to a sign: +1 for proper rotations and −1 for improper
rotations.
as well the spin operator S, and hence the total angular momentum
In Dirac notation:
and since | Ψ > is any quantum state, the same result follows:
Note that here, the term "vector" is used two different ways: kets such as |ψ⟩ are elements of abstract Hilbert spaces,
while the vector operator is defined as a quantity whose components transform in a certain way under rotations.
A vector operator in the spherical basis is V = (V+1 , V0 , V−1 ) where the components are:[2]
where q is a placeholder for the spherical basis labels (+1, 0, −1), and:
(some authors may place a factor of 1/2 on the left hand side of the equation) and raise (J+) or lower (J−) the total
magnetic quantum number m by one unit. In the spherical basis the generators are:
The rotation transformation in the spherical basis (originally written in the Cartesian basis) is then:
One can generalize the vector operator concept easily to tensorial operators, shown next.
Consider a dyadic tensor with components Tij = aibj, this rotates infinitesimally according to:
includes just one component, a scalar equivalently written (a·b)/3, the second
includes three independent components, equivalently the components of (a×b)/2, and the third
includes five independent components. Throughout, δij is the Kronecker delta, the components of the identity
matrix. The number in the superscripted brackets denotes the tensor rank. These three terms are irreducible, which
means they cannot be decomposed further and still be tensors satisfying the defining transformation laws under
which they must be invariant. These also correspond to the number of spherical harmonic functions 2ℓ + 1 for ℓ = 0,
1, 2, the same as the ranks for each tensor. Each of the irreducible representations T(1), T(2) ... transform like angular
momentum eigenstates according to the number of independent components.
in general,
Note: This is just an example, in general, a tensor operator cannot be written as the product of two Tensor operators
as given in the above example.
Continuing the previous example of the second order dyadic tensor T = a ⊗ b, casting each of a and b into the
spherical basis and substituting into T gives the spherical tensor operators of the second order, which are:
Using the infinitesimal rotation operator and its Hermitian conjugate, one can derive the commutation relation in the
spherical basis:
One way is to specify how spherical tensors transform under a physical rotation - a group theoretical definition. A
rotated angular momentum eigenstate can be decomposed into a linear combination of the initial eigenstates: the
coefficients in the linear combination consist of Wigner rotation matrix entries. Spherical tensor operators are
sometimes defined as the set of operators that transform just like the eigenkets under a rotation.
A spherical tensor Tq (k) of rank k is defined to rotate into Tq′(k) according to:
where q = k, k − 1, ..., −k + 1, −k. For spherical tensors, k and q are analogous labels to ℓ and m respectively, for
spherical harmonics. Some authors write Tkq instead of Tq (k), with or without the parentheses enclosing the rank
number k.
Another related procedure requires that the spherical tensors satisfy certain commutation relations with respect to the
rotation generators Jx, Jy, Jz - an algebraic definition.
The commutation relations of the angular momentum components with the tensor operators are:
For any 3d vector, not just a unit vector, and not just the position vector:
a spherical tensor is a spherical harmonic as a function of this vector a, and in Dirac notation:
(the super and subscripts switch places for the corresponding labels ℓ ↔ k and m ↔ q which spherical tensors and
spherical harmonics use).
Spherical harmonic states and spherical tensors can also be constructed out of the Clebsch–Gordan coefficients.
Irreducible spherical tensors can build higher rank spherical tensors; if Aq1 (k1) and Bq2 (k2) are two spherical tensors
of ranks k1 and k2 respectively, then:
is a spherical tensor of rank k.
There is some arbitrariness in the choice of the phase factor: any factor containing (−1)±q will satisfy the
commutation relations.[4] The above choice of phase has the advantages of being real and that the tensor product of
two commuting Hermitian operators is still Hermitian.[5] Some authors define it with a different sign on q , without
the k, or use only the floor of k.[6]
which raise or lower the orbital magnetic quantum number mℓ by one unit. This has almost exactly the same form as
the spherical basis, aside from constant multiplicative factors.
Spherical tensors can also be formed from algebraic combinations of the spin operators Sx, Sy, Sz, as matrices, for a
spin system with total quantum number j = ℓ + s (and ℓ = 0). Spin operators have the ladder operators:
which raise or lower the spin magnetic quantum number ms by one unit.
Applications
Spherical bases have broad applications in pure and applied mathematics and physical sciences where spherical
geometries occur.
The transition amplitude is proportional to matrix elements of the dipole operator between the initial and final states.
We use an electrostatic, spinless model for the atom and we consider the transition from the initial energy level En ℓ
to final level En′ℓ′. These levels are degenerate, since the energy does not depend on the magnetic quantum number
m or m′. The wave functions have the form,
The dipole operator is proportional to the position operator of the electron, so we must evaluate matrix elements of
the form,
where, the initial state is on the right and the final one on the left. The position operator r has three components, and
the initial and final levels consist of 2 ℓ + 1 and 2 ℓ ′ + 1 degenerate states, respectively. Therefore if we wish to
evaluate the intensity of a spectral line as it would be observed, we really have to evaluate 3(2ℓ′+ 1)(2ℓ+ 1) matrix
elements, for example, 3×3×5 = 45 in a 3d → 2p transition. This is actually an exaggeration, as we shall see,
because many of the matrix elements vanish, but there are still many non-vanishing matrix elements to be calculated.
A great simplification can be achieved by expressing the components of r, not with respect to the Cartesian basis, but
with respect to the spherical basis. First we define,
where, we have multiplied each Y1m by the radius r. On the right hand side we see the spherical components rq of
the position vector r. The results can be summarized by,
for q = 1, 0, −1, where q appears explicitly as a magnetic quantum number. This equation reveals a relationship
between vector operators and the angular momentum value ℓ = 1, something we will have more to say about
presently. Now the matrix elements become a product of a radial integral times an angular integral,
We see that all the dependence on the three magnetic quantum numbers (m′,q,m) is contained in the angular part of
the integral. Moreover, the angular integral can be evaluated by the three-Y ℓ m formula, whereupon it becomes
proportional to the Clebsch-Gordan coefficient,
The radial integral is independent of the three magnetic quantum numbers (m′, q, m), and the trick we have just used
does not help us to evaluate it. But it is only one integral, and after it has been done, all the other integrals can be
evaluated just by computing or looking up Clebsch-Gordan coefficients.
The selection rule m′ = q + m in the Clebsch-Gordan coefficient means that many of the integrals vanish, so we have
exaggerated the total number of integrals that need to be done. But had we worked with the Cartesian components ri
of r, this selection rule might not have been obvious. In any case, even with the selection rule, there may still be
many nonzero integrals to be done (nine, in the case 3d → 2p). The example we have just given of simplifying the
calculation of matrix elements for a dipole transition is really an application of the Wigner-Eckart theorem, which we
take up later in these notes.
Magnetic resonance
The spherical tensor formalism provides a common platform for treating coherence and relaxation in nuclear
magnetic resonance. In NMR and EPR, spherical tensor operators are employed to express the quantum dynamics of
particle spin, by means of an equation of motion for the density matrix entries, or to formulate dynamics in terms of
an equation of motion in Liouville space. The Liouville space equation of motion governs the observable averages
of spin variables. When relaxation is formulated using a spherical tensor basis in Liouville space, insight is gained
because the relaxation matrix exhibits the cross-relaxation of spin observables directly.[3]
See also
Wigner–Eckart theorem
Structure tensor
Clebsch–Gordan coefficients for SU(3)
References
Notes
1. Jeevanjee, Nadir (2015). An Introduction to Tensors and Group Theory for Physicists (https://www.sp
ringer.com/us/book/9783319147932) (2nd ed.). Birkhauser. ISBN 978-0-8176-4714-8.
2. E. Abers (2004). "5". Quantum Mechanics. Addison Wesley. ISBN 978-0-13-146100-0.
3. R.D. Nielsen; B.H. Robinson (2006). "The Spherical Tensor Formalism Applied to Relaxation in
Magnetic Resonance" (https://web.archive.org/web/20140407100927/http://www.fast-mariecurie-rtn-
project.eu/espacePrive/dvormondt/nielsen06.pdf) (PDF). pp. 270–271. Archived from the original (htt
p://www.fast-mariecurie-rtn-project.eu/espacePrive/dvormondt/nielsen06.pdf) (PDF) on 2014-04-07.
Retrieved 2013-06-13.
4. McCarthy, Ian E.; Weigold, Erich (2005). Electron-Atom Collisions (Volume 5 of Cambridge
Monographs on Atomic, Molecular and Chemical Physics). Cambridge University Press. p. 68.
ISBN 9780521019682.
5. Edmonds, A. R. (1957). Angular Momentum in Quantum Mechanics (https://archive.org/details/angul
armomentumq00edmo). Princeton University Press. p. 78 (https://archive.org/details/angularmoment
umq00edmo/page/n83). ISBN 9780691025896.
6. Degl'Innocenti, M. Landi; Landolfi, M. (2006). Polarization in Spectral Lines. Springer Science &
Business Media. p. 65. ISBN 9781402024153.
Sources
P. T. Callaghan (2011). Translational Dynamics and Magnetic Resonance:Principles of Pulsed
Gradient Spin Echo NMR (https://books.google.com/books?id=PocotAhdrtQC&q=spherical+tensor+
operators&pg=PA89). Oxford University Press. ISBN 978-0-191-621-048.
V. V. Balashov; A. N. Grum-Grzhimailo; N.M. Kabachnik (2000). Polarization and Correlation
Phenomena in Atomic Collisions: A Practical Theory Course (https://books.google.com/books?id=Z
_K9HOndNssC&q=tensor+operators&pg=PA209). Springer. ISBN 9780306462665.
J. A. Tuszynski (1990). Spherical Tensor Operators: Tables of Matrix Elements and Symmetries (http
s://books.google.com/books?id=0IRIaJ4yLZEC&q=tensor+operators). World Scientific. ISBN 978-
981-0202-835.
L. Castellani; J. Wess (1996). Quantum Groups and Their Applications in Physics: Varenna on Lake
Como, Villa Monastero, 28 June-8 July 1994 (https://books.google.com/books?id=_b0bZzw426AC&
q=tensor+operators&pg=PA19). Società Italiana di Fisica, IOS. ISBN 978-905-199-24-72.
Introduction to the Graphical Theory of Angular Momentum (https://books.google.com/books?id=3xL
abi3WThgC&q=tensor+operators&pg=PA6). Springer. 2009. ISBN 978-364-203-11-99.
A. R. Edmonds (1996). Angular Momentum in Quantum Mechanics (https://books.google.com/book
s?id=0BSOg0oHhZ0C&q=spherical+tensor+operators) (2nd ed.). Princeton University Press.
ISBN 978-0-691-025-896.
L.J. Mueller (2011). "Tensors and rotations in NMR" (https://semanticscholar.org/paper/361fc5de98b
57ed585373306d4c00c62d0e43363). Concepts in Magnetic Resonance Part A. 38A (5): 221–235.
doi:10.1002/cmr.a.20224 (https://doi.org/10.1002%2Fcmr.a.20224). S2CID 8889942 (https://api.sem
anticscholar.org/CorpusID:8889942).
M.S. Anwar (2004). "Spherical Tensor Operators in NMR" (http://physlab.lums.edu.pk/images/3/39/S
pherical_tensor.pdf) (PDF).
P. Callaghan (1993). Principles of nuclear magnetic resonance microscopy (https://books.google.co
m/books?id=yjrjT_W5hygC&q=spherical+tensor+basis&pg=PA56). Oxford University Press. pp. 56–
57. ISBN 978-0-198-539-971.
Further reading
Spherical harmonics
G.W.F. Drake (2006). Springer Handbook of Atomic, Molecular, and Optical Physics (https://books.go
ogle.com/books?id=Jj-ad_2aNOAC&q=spherical+tensor+basis&pg=PA52) (2nd ed.). Springer.
p. 57. ISBN 978-0-3872-6308-3.
F.A. Dahlen; J. Tromp (1998). Theoretical global seismology (https://books.google.com/books?id=G
WnuBws5gBEC&q=spherical+tensor+basis&pg=PA877) (2nd ed.). Princeton University Press.
p. appendix C. ISBN 978-0-69100-1241.
D.O. Thompson; D.E. Chimenti (1997). Review of Progress in Quantitative Nondestructive
Evaluation (https://books.google.com/books?id=3etLzmHu6bQC&q=spherical+tensor+basis&pg=PA
1709). Review Of Progress In Quantitative Nondestructive Evaluation. 16. Springer. p. 1708.
ISBN 978-0-3064-55971.
H. Paetz; G. Schieck (2011). Nuclear Physics with Polarized Particles (https://books.google.com/boo
ks?id=jsJg8VjFe6YC&q=spherical+basis+tensor&pg=PA31). Lecture Notes in Physics. 842.
Springer. p. 31. ISBN 978-364-224-225-0.
V. Devanathan (1999). Angular Momentum Techniques in Quantum Mechanics (https://books.googl
e.com/books?id=VeiursWZeoUC&q=spherical+basis+tensor&pg=PT1). Fundamental Theories of
Physics. 108. Springer. pp. 34, 61. ISBN 978-0-7923-5866-4.
V.D. Kleiman; R.N. Zare (1998). "5" (https://books.google.com/books?id=j-Wi3ZAK2nEC&q=spheric
al+basis+tensor&pg=PA112). A Companion to Angular Momentum. John Wiley & Sons. p. 112.
ISBN 978-0-4711-9249-7.
Magnetic resonance
L.J. Mueller (2011). "Tensors and rotations in NMR" (https://semanticscholar.org/paper/361fc5de98b
57ed585373306d4c00c62d0e43363). Concepts in Magnetic Resonance Part A. 38A (5): 221–235.
doi:10.1002/cmr.a.20224 (https://doi.org/10.1002%2Fcmr.a.20224). S2CID 8889942 (https://api.sem
anticscholar.org/CorpusID:8889942).
M.S. Anwar (2004). "Spherical Tensor Operators in NMR" (http://physlab.lums.edu.pk/images/3/39/S
pherical_tensor.pdf) (PDF).
P. Callaghan (1993). Principles of nuclear magnetic resonance microscopy (https://books.google.co
m/books?id=yjrjT_W5hygC&q=spherical+tensor+basis&pg=PA56). Oxford University Press. pp. 56–
57. ISBN 978-0-198-539-971.
Image processing
M. Reisert; H. Burkhardt (2009). S. Aja-Fernández (ed.). Tensors in Image Processing and Computer
Vision (https://books.google.com/books?id=yS_YbH-SAxgC&q=spherical+basis+tensor&pg=PA15
3). Springer. ISBN 978-184-8822-993.
D.H. Laidlaw; J. Weickert (2009). Visualization and Processing of Tensor Fields: Advances and
Perspectives (https://books.google.com/books?id=Kh5YLrjSOeAC&q=spherical+tensor+basis&pg=
PA44). Mathematics and Visualization. Springer. ISBN 978-354-088-378-4.
M. Felsberg; E. Jonsson (2005). Energy Tensors: Quadratic, Phase Invariant Image Operators.
Lecture Notes in Computer Science. 3663. Springer. pp. 493–500.
E. König; S. Kremer (1979). "Tensor Operator Algebra for Point Groups". Magnetism Diagrams for
Transition Metal Ions. Lecture Notes in Computer Science. 3663. Springer. pp. 13–20.
doi:10.1007/978-1-4613-3003-5_3 (https://doi.org/10.1007%2F978-1-4613-3003-5_3). ISBN 978-1-
4613-3005-9.
External links
(2012) Clebsch-Gordon (sic) coefficients and the tensor spherical harmonics (http://scipp.ucsc.edu/~
haber/ph216/clebsch.pdf)
The tensor spherical harmonics (https://web.archive.org/web/20130822223540/http://scipp.ucsc.edu/
~haber/ph214/tensor_harmonics.pdf)
(2010) Irreducible Tensor Operators and the Wigner-Eckart Theorem (http://bohr.physics.berkeley.ed
u/classes/221/1011/notes/wigeck.pdf)
Tensor operators (http://cc.oulu.fi/~tf/tiedostot/pub/kvmIII/english/2004/09_tensop.pdf)
M. Fowler (2008), Tensor Operators (http://galileo.phys.virginia.edu/classes/752.mf1i.spring03/Tenso
rOperators.htm)
Tensor_Operators (http://www.physics.rutgers.edu/~steves/502/Lectures_Preliminary/Lec08_Tensor
_Operators.pdf)
(2009) Tensor Operators and the Wigner Eckart Theorem (http://www.lepp.cornell.edu/~dlr/teaching/
p6572/TensorOperatorsWE.pdf)
The Wigner-Eckart theorem (http://www.core.org.cn/NR/rdonlyres/Chemistry/5-73Fall-2005/BEE27F
D3-DE39-468F-B7B7-2EB89C58B89D/0/sec9.pdf)
(2004) Rotational Transformations and Spherical Tensor Operators (http://ocw.mit.edu/courses/chem
istry/5-74-introductory-quantum-mechanics-ii-spring-2004/lecture-notes/03_lecnotes_rwf.pdf)
Tensor operators (http://www.glue.umd.edu/afs/glue.umd.edu/department/phys/courses/Phys622/pu
blic_html/ji/lecture27.pdf)
Evaluation of the matrix elements for radiative transitions (http://www.princeton.edu/~romalis/PHYS5
51/TensorOperators.pdf)
D.K. Ghosh, (2013) Angular Momentum - III : Wigner- Eckart Theorem (https://web.archive.org/web/2
0140328105944/http://www.phy.iitb.ac.in/~dkg/wigner.pdf)
B. Baragiola (2002) Tensor Operators (https://web.archive.org/web/20190713054517/http://info.phys.
unm.edu/~ideutsch/classes/phys531f11/sphericaltensors.pdf)
Spherical Tensors (http://www.chemie.uni-hamburg.de/nmr/insensitive/tutorial/en.lproj/spherical_ten
sors.html)
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