In mathematics, specifically functional analysis, a trace-class operator is a linear operator for which a trace may be defined, such that the trace is a finite number independent of the choice of basis used to compute the trace. This trace of trace-class operators generalizes the trace of matrices studied in linear algebra. All trace-class operators are compact operators.
In quantum mechanics, quantum states are described by density matrices, which are certain trace class operators.[1]
Trace-class operators are essentially the same as nuclear operators, though many authors reserve the term "trace-class operator" for the special case of nuclear operators on Hilbert spaces and use the term "nuclear operator" in more general topological vector spaces (such as Banach spaces).
Definition
Let
H
{\displaystyle H}
be a separable Hilbert space,
{
e
k
}
k
=
1
∞
{\displaystyle \left\{e_{k}\right\}_{k=1}^{\infty }}
an orthonormal basis and
A
:
H
→
H
{\displaystyle A:H\to H}
a positive bounded linear operator on
H
{\displaystyle H}
. The trace of
A
{\displaystyle A}
is denoted by
Tr
(
A
)
{\displaystyle \operatorname {Tr} (A)}
and defined as[2][3]
-
Tr
(
A
)
=
∑
k
=
1
∞
⟨
A
e
k
,
e
k
⟩
,
{\displaystyle \operatorname {Tr} (A)=\sum _{k=1}^{\infty }\left\langle Ae_{k},e_{k}\right\rangle ,}
independent of the choice of orthonormal basis. A (not necessarily positive) bounded linear operator
T
:
H
→
H
{\displaystyle T:H\rightarrow H}
is called trace class if and only if
-
Tr
(
|
T
|
)
<
∞
,
{\displaystyle \operatorname {Tr} (|T|)<\infty ,}
where
|
T
|
:=
T
∗
T
{\displaystyle |T|:={\sqrt {T^{*}T}}}
denotes the positive-semidefinite Hermitian square root.[4]
The trace-norm of a trace class operator T is defined as
‖
T
‖
1
:=
Tr
(
|
T
|
)
.
{\displaystyle \|T\|_{1}:=\operatorname {Tr} (|T|).}
One can show that the trace-norm is a norm on the space of all trace class operators
B
1
(
H
)
{\displaystyle B_{1}(H)}
and that
B
1
(
H
)
{\displaystyle B_{1}(H)}
, with the trace-norm, becomes a Banach space.
When
H
{\displaystyle H}
is finite-dimensional, every (positive) operator is trace class. For
A
{\displaystyle A}
this definition coincides with that of the trace of a matrix. If
H
{\displaystyle H}
is complex, then
A
{\displaystyle A}
is always self-adjoint (i.e.
A
=
A
∗
=
|
A
|
{\displaystyle A=A^{*}=|A|}
) though the converse is not necessarily true.[5]
Equivalent formulations
Given a bounded linear operator
T
:
H
→
H
{\displaystyle T:H\to H}
, each of the following statements is equivalent to
T
{\displaystyle T}
being in the trace class:
-
Tr
(
|
T
|
)
=
∑
k
⟨
|
T
|
e
k
,
e
k
⟩
{\textstyle \operatorname {Tr} (|T|)=\sum _{k}\left\langle |T|\,e_{k},e_{k}\right\rangle }
is finite for every orthonormal basis ( e k ) k {\displaystyle \left(e_{k}\right)_{k}}
of H.[2]
- T is a nuclear operator.[6][7]
- There exist two orthogonal sequences
(
x
i
)
i
=
1
∞
{\displaystyle \left(x_{i}\right)_{i=1}^{\infty }}
and ( y i ) i = 1 ∞ {\displaystyle \left(y_{i}\right)_{i=1}^{\infty }}
in H {\displaystyle H}
and positive real numbers ( λ i ) i = 1 ∞ {\displaystyle \left(\lambda _{i}\right)_{i=1}^{\infty }}
in ℓ 1 {\displaystyle \ell ^{1}}
such that ∑ i = 1 ∞ λ i < ∞ {\textstyle \sum _{i=1}^{\infty }\lambda _{i}<\infty }
and
-
x
↦
T
(
x
)
=
∑
i
=
1
∞
λ
i
⟨
x
,
x
i
⟩
y
i
,
∀
x
∈
H
,
{\displaystyle x\mapsto T(x)=\sum _{i=1}^{\infty }\lambda _{i}\left\langle x,x_{i}\right\rangle y_{i},\quad \forall x\in H,}
-
x
↦
T
(
x
)
=
∑
i
=
1
∞
λ
i
⟨
x
,
x
i
⟩
y
i
,
∀
x
∈
H
,
{\displaystyle x\mapsto T(x)=\sum _{i=1}^{\infty }\lambda _{i}\left\langle x,x_{i}\right\rangle y_{i},\quad \forall x\in H,}
- where
(
λ
i
)
i
=
1
∞
{\displaystyle \left(\lambda _{i}\right)_{i=1}^{\infty }}
are the singular values of T (or, equivalently, the eigenvalues of | T | {\displaystyle |T|}
), with each value repeated as often as its multiplicity.[8]
- There exist two orthogonal sequences
(
x
i
)
i
=
1
∞
{\displaystyle \left(x_{i}\right)_{i=1}^{\infty }}
- T is a compact operator with
Tr
(
|
T
|
)
<
∞
.
{\displaystyle \operatorname {Tr} (|T|)<\infty .}
- If T is trace class then[9]
-
‖
T
‖
1
=
sup
{
|
Tr
(
C
T
)
|
:
‖
C
‖
≤
1
and
C
:
H
→
H
is a compact operator
}
.
{\displaystyle \|T\|_{1}=\sup \left\{|\operatorname {Tr} (CT)|:\|C\|\leq 1{\text{ and }}C:H\to H{\text{ is a compact operator }}\right\}.}
-
‖
T
‖
1
=
sup
{
|
Tr
(
C
T
)
|
:
‖
C
‖
≤
1
and
C
:
H
→
H
is a compact operator
}
.
{\displaystyle \|T\|_{1}=\sup \left\{|\operatorname {Tr} (CT)|:\|C\|\leq 1{\text{ and }}C:H\to H{\text{ is a compact operator }}\right\}.}
- If T is trace class then[9]
- T is an integral operator.[10]
- T is equal to the composition of two Hilbert-Schmidt operators.[11]
-
|
T
|
{\textstyle {\sqrt {|T|}}}
is a Hilbert-Schmidt operator.[11]
Examples
Spectral theorem
Let
T
{\displaystyle T}
be a bounded self-adjoint operator on a Hilbert space. Then
T
2
{\displaystyle T^{2}}
is trace class if and only if
T
{\displaystyle T}
has a pure point spectrum with eigenvalues
{
λ
i
(
T
)
}
i
=
1
∞
{\displaystyle \left\{\lambda _{i}(T)\right\}_{i=1}^{\infty }}
such that[12]
-
Tr
(
T
2
)
=
∑
i
=
1
∞
λ
i
(
T
2
)
<
∞
.
{\displaystyle \operatorname {Tr} (T^{2})=\sum _{i=1}^{\infty }\lambda _{i}(T^{2})<\infty .}
Mercer's theorem
Mercer's theorem provides another example of a trace class operator. That is, suppose
K
{\displaystyle K}
is a continuous symmetric positive-definite kernel on
L
2
(
[
a
,
b
]
)
{\displaystyle L^{2}([a,b])}
, defined as
-
K
(
s
,
t
)
=
∑
j
=
1
∞
λ
j
e
j
(
s
)
e
j
(
t
)
{\displaystyle K(s,t)=\sum _{j=1}^{\infty }\lambda _{j}\,e_{j}(s)\,e_{j}(t)}
then the associated Hilbert–Schmidt integral operator
T
K
{\displaystyle T_{K}}
is trace class, i.e.,
-
Tr
(
T
K
)
=
∫
a
b
K
(
t
,
t
)
d
t
=
∑
i
λ
i
.
{\displaystyle \operatorname {Tr} (T_{K})=\int _{a}^{b}K(t,t)\,dt=\sum _{i}\lambda _{i}.}
Finite-rank operators
Every finite-rank operator is a trace-class operator. Furthermore, the space of all finite-rank operators is a dense subspace of
B
1
(
H
)
{\displaystyle B_{1}(H)}
(when endowed with the trace norm).[9]
Given any
x
,
y
∈
H
,
{\displaystyle x,y\in H,}
define the operator
x
⊗
y
:
H
→
H
{\displaystyle x\otimes y:H\to H}
by
(
x
⊗
y
)
(
z
)
:=
⟨
z
,
y
⟩
x
.
{\displaystyle (x\otimes y)(z):=\langle z,y\rangle x.}
Then
x
⊗
y
{\displaystyle x\otimes y}
is a continuous linear operator of rank 1 and is thus trace class;
moreover, for any bounded linear operator A on H (and into H),
Tr
(
A
(
x
⊗
y
)
)
=
⟨
A
x
,
y
⟩
.
{\displaystyle \operatorname {Tr} (A(x\otimes y))=\langle Ax,y\rangle .}
[9]
Properties
- If
A
:
H
→
H
{\displaystyle A:H\to H}
is a non-negative self-adjoint operator, then A {\displaystyle A}
is trace-class if and only if Tr A < ∞ . {\displaystyle \operatorname {Tr} A<\infty .}
Therefore, a self-adjoint operator A {\displaystyle A}
is trace-class if and only if its positive part A + {\displaystyle A^{+}}
and negative part A − {\displaystyle A^{-}}
are both trace-class. (The positive and negative parts of a self-adjoint operator are obtained by the continuous functional calculus.)
- The trace is a linear functional over the space of trace-class operators, that is,
Tr
(
a
A
+
b
B
)
=
a
Tr
(
A
)
+
b
Tr
(
B
)
.
{\displaystyle \operatorname {Tr} (aA+bB)=a\operatorname {Tr} (A)+b\operatorname {Tr} (B).}
The bilinear map ⟨ A , B ⟩ = Tr ( A ∗ B ) {\displaystyle \langle A,B\rangle =\operatorname {Tr} (A^{*}B)}
is an inner product on the trace class; the corresponding norm is called the Hilbert–Schmidt norm. The completion of the trace-class operators in the Hilbert–Schmidt norm are called the Hilbert–Schmidt operators.
-
Tr
:
B
1
(
H
)
→
C
{\displaystyle \operatorname {Tr} :B_{1}(H)\to \mathbb {C} }
is a positive linear functional such that if T {\displaystyle T}
is a trace class operator satisfying T ≥ 0 and Tr T = 0 , {\displaystyle T\geq 0{\text{ and }}\operatorname {Tr} T=0,}
then T = 0. {\displaystyle T=0.}
[11]
- If
T
:
H
→
H
{\displaystyle T:H\to H}
is trace-class then so is T ∗ {\displaystyle T^{*}}
and ‖ T ‖ 1 = ‖ T ∗ ‖ 1 . {\displaystyle \|T\|_{1}=\left\|T^{*}\right\|_{1}.}
[11]
- If
A
:
H
→
H
{\displaystyle A:H\to H}
is bounded, and T : H → H {\displaystyle T:H\to H}
is trace-class, then A T {\displaystyle AT}
and T A {\displaystyle TA}
are also trace-class (i.e. the space of trace-class operators on H is a two-sided ideal in the algebra of bounded linear operators on H), and[11][13] ‖ A T ‖ 1 = Tr ( | A T | ) ≤ ‖ A ‖ ‖ T ‖ 1 , ‖ T A ‖ 1 = Tr ( | T A | ) ≤ ‖ A ‖ ‖ T ‖ 1 . {\displaystyle \|AT\|_{1}=\operatorname {Tr} (|AT|)\leq \|A\|\|T\|_{1},\quad \|TA\|_{1}=\operatorname {Tr} (|TA|)\leq \|A\|\|T\|_{1}.}
Furthermore, under the same hypothesis,[11] Tr ( A T ) = Tr ( T A ) {\displaystyle \operatorname {Tr} (AT)=\operatorname {Tr} (TA)}
and | Tr ( A T ) | ≤ ‖ A ‖ ‖ T ‖ . {\displaystyle |\operatorname {Tr} (AT)|\leq \|A\|\|T\|.}
The last assertion also holds under the weaker hypothesis that A and T are Hilbert–Schmidt.
- If
(
e
k
)
k
{\displaystyle \left(e_{k}\right)_{k}}
and ( f k ) k {\displaystyle \left(f_{k}\right)_{k}}
are two orthonormal bases of H and if T is trace class then ∑ k | ⟨ T e k , f k ⟩ | ≤ ‖ T ‖ 1 . {\textstyle \sum _{k}\left|\left\langle Te_{k},f_{k}\right\rangle \right|\leq \|T\|_{1}.}
[9]
- If A is trace-class, then one can define the Fredholm determinant of
I
+
A
{\displaystyle I+A}
: det ( I + A ) := ∏ n ≥ 1 [ 1 + λ n ( A ) ] , {\displaystyle \det(I+A):=\prod _{n\geq 1}[1+\lambda _{n}(A)],}
where { λ n ( A ) } n {\displaystyle \{\lambda _{n}(A)\}_{n}}
is the spectrum of A . {\displaystyle A.}
The trace class condition on A {\displaystyle A}
guarantees that the infinite product is finite: indeed, det ( I + A ) ≤ e ‖ A ‖ 1 . {\displaystyle \det(I+A)\leq e^{\|A\|_{1}}.}
It also implies that det ( I + A ) ≠ 0 {\displaystyle \det(I+A)\neq 0}
if and only if ( I + A ) {\displaystyle (I+A)}
is invertible.
- If
A
:
H
→
H
{\displaystyle A:H\to H}
is trace class then for any orthonormal basis ( e k ) k {\displaystyle \left(e_{k}\right)_{k}}
of H , {\displaystyle H,}
the sum of positive terms ∑ k | ⟨ A e k , e k ⟩ | {\textstyle \sum _{k}\left|\left\langle A\,e_{k},e_{k}\right\rangle \right|}
is finite.[11]
- If
A
=
B
∗
C
{\displaystyle A=B^{*}C}
for some Hilbert-Schmidt operators B {\displaystyle B}
and C {\displaystyle C}
then for any normal vector e ∈ H , {\displaystyle e\in H,}
| ⟨ A e , e ⟩ | ≤ 1 2 ( ‖ B e ‖ 2 + ‖ C e ‖ 2 ) {\textstyle |\langle Ae,e\rangle |\leq {\frac {1}{2}}\left(\|Be\|^{2}+\|Ce\|^{2}\right)}
holds.[11]
Lidskii's theorem
Let
A
{\displaystyle A}
be a trace-class operator in a separable Hilbert space
H
,
{\displaystyle H,}
and let
{
λ
n
(
A
)
}
n
=
1
N
≤
∞
{\displaystyle \{\lambda _{n}(A)\}_{n=1}^{N\leq \infty }}
be the eigenvalues of
A
.
{\displaystyle A.}
Let us assume that
λ
n
(
A
)
{\displaystyle \lambda _{n}(A)}
are enumerated with algebraic multiplicities taken into account (that is, if the algebraic multiplicity of
λ
{\displaystyle \lambda }
is
k
,
{\displaystyle k,}
then
λ
{\displaystyle \lambda }
is repeated
k
{\displaystyle k}
times in the list
λ
1
(
A
)
,
λ
2
(
A
)
,
…
{\displaystyle \lambda _{1}(A),\lambda _{2}(A),\dots }
). Lidskii's theorem (named after Victor Borisovich Lidskii) states that
Tr
(
A
)
=
∑
n
=
1
N
λ
n
(
A
)
{\displaystyle \operatorname {Tr} (A)=\sum _{n=1}^{N}\lambda _{n}(A)}
Note that the series on the right converges absolutely due to Weyl's inequality
∑
n
=
1
N
|
λ
n
(
A
)
|
≤
∑
m
=
1
M
s
m
(
A
)
{\displaystyle \sum _{n=1}^{N}\left|\lambda _{n}(A)\right|\leq \sum _{m=1}^{M}s_{m}(A)}
between the eigenvalues
{
λ
n
(
A
)
}
n
=
1
N
{\displaystyle \{\lambda _{n}(A)\}_{n=1}^{N}}
and the singular values
{
s
m
(
A
)
}
m
=
1
M
{\displaystyle \{s_{m}(A)\}_{m=1}^{M}}
of the compact operator
A
.
{\displaystyle A.}
[14] See also Grothendieck trace theorem.
Relationship between common classes of operators
One can view certain classes of bounded operators as noncommutative analogue of classical sequence spaces, with trace-class operators as the noncommutative analogue of the sequence space
ℓ
1
(
N
)
.
{\displaystyle \ell ^{1}(\mathbb {N} ).}
Indeed, it is possible to apply the spectral theorem to show that every normal trace-class operator on a separable Hilbert space can be realized in a certain way as an
ℓ
1
{\displaystyle \ell ^{1}}
sequence with respect to some choice of a pair of Hilbert bases. In the same vein, the bounded operators are noncommutative versions of
ℓ
∞
(
N
)
,
{\displaystyle \ell ^{\infty }(\mathbb {N} ),}
the compact operators that of
c
0
{\displaystyle c_{0}}
(the sequences convergent to 0), Hilbert–Schmidt operators correspond to
ℓ
2
(
N
)
,
{\displaystyle \ell ^{2}(\mathbb {N} ),}
and finite-rank operators to
c
00
{\displaystyle c_{00}}
(the sequences that have only finitely many non-zero terms). To some extent, the relationships between these classes of operators are similar to the relationships between their commutative counterparts.
Recall that every compact operator
T
{\displaystyle T}
on a Hilbert space takes the following canonical form: there exist orthonormal bases
(
u
i
)
i
{\displaystyle (u_{i})_{i}}
and
(
v
i
)
i
{\displaystyle (v_{i})_{i}}
and a sequence
(
α
i
)
i
{\displaystyle \left(\alpha _{i}\right)_{i}}
of non-negative numbers with
α
i
→
0
{\displaystyle \alpha _{i}\to 0}
such that
T
x
=
∑
i
α
i
⟨
x
,
v
i
⟩
u
i
for all
x
∈
H
.
{\displaystyle Tx=\sum _{i}\alpha _{i}\langle x,v_{i}\rangle u_{i}\quad {\text{ for all }}x\in H.}
Making the above heuristic comments more precise, we have that
T
{\displaystyle T}
is trace-class iff the series
∑
i
α
i
{\textstyle \sum _{i}\alpha _{i}}
is convergent,
T
{\displaystyle T}
is Hilbert–Schmidt iff
∑
i
α
i
2
{\textstyle \sum _{i}\alpha _{i}^{2}}
is convergent, and
T
{\displaystyle T}
is finite-rank iff the sequence
(
α
i
)
i
{\displaystyle \left(\alpha _{i}\right)_{i}}
has only finitely many nonzero terms. This allows to relate these classes of operators. The following inclusions hold and are all proper when
H
{\displaystyle H}
is infinite-dimensional:
{
finite rank
}
⊆
{
trace class
}
⊆
{
Hilbert--Schmidt
}
⊆
{
compact
}
.
{\displaystyle \{{\text{ finite rank }}\}\subseteq \{{\text{ trace class }}\}\subseteq \{{\text{ Hilbert--Schmidt }}\}\subseteq \{{\text{ compact }}\}.}
The trace-class operators are given the trace norm
‖
T
‖
1
=
Tr
[
(
T
∗
T
)
1
/
2
]
=
∑
i
α
i
.
{\textstyle \|T\|_{1}=\operatorname {Tr} \left[\left(T^{*}T\right)^{1/2}\right]=\sum _{i}\alpha _{i}.}
The norm corresponding to the Hilbert–Schmidt inner product is
‖
T
‖
2
=
[
Tr
(
T
∗
T
)
]
1
/
2
=
(
∑
i
α
i
2
)
1
/
2
.
{\displaystyle \|T\|_{2}=\left[\operatorname {Tr} \left(T^{*}T\right)\right]^{1/2}=\left(\sum _{i}\alpha _{i}^{2}\right)^{1/2}.}
Also, the usual operator norm is
‖
T
‖
=
sup
i
(
α
i
)
.
{\textstyle \|T\|=\sup _{i}\left(\alpha _{i}\right).}
By classical inequalities regarding sequences,
‖
T
‖
≤
‖
T
‖
2
≤
‖
T
‖
1
{\displaystyle \|T\|\leq \|T\|_{2}\leq \|T\|_{1}}
for appropriate
T
.
{\displaystyle T.}
It is also clear that finite-rank operators are dense in both trace-class and Hilbert–Schmidt in their respective norms.
Trace class as the dual of compact operators
The dual space of
c
0
{\displaystyle c_{0}}
is
ℓ
1
(
N
)
.
{\displaystyle \ell ^{1}(\mathbb {N} ).}
Similarly, we have that the dual of compact operators, denoted by
K
(
H
)
∗
,
{\displaystyle K(H)^{*},}
is the trace-class operators, denoted by
B
1
.
{\displaystyle B_{1}.}
The argument, which we now sketch, is reminiscent of that for the corresponding sequence spaces. Let
f
∈
K
(
H
)
∗
,
{\displaystyle f\in K(H)^{*},}
we identify
f
{\displaystyle f}
with the operator
T
f
{\displaystyle T_{f}}
defined by
⟨
T
f
x
,
y
⟩
=
f
(
S
x
,
y
)
,
{\displaystyle \langle T_{f}x,y\rangle =f\left(S_{x,y}\right),}
where
S
x
,
y
{\displaystyle S_{x,y}}
is the rank-one operator given by
S
x
,
y
(
h
)
=
⟨
h
,
y
⟩
x
.
{\displaystyle S_{x,y}(h)=\langle h,y\rangle x.}
This identification works because the finite-rank operators are norm-dense in
K
(
H
)
.
{\displaystyle K(H).}
In the event that
T
f
{\displaystyle T_{f}}
is a positive operator, for any orthonormal basis
u
i
,
{\displaystyle u_{i},}
one has
∑
i
⟨
T
f
u
i
,
u
i
⟩
=
f
(
I
)
≤
‖
f
‖
,
{\displaystyle \sum _{i}\langle T_{f}u_{i},u_{i}\rangle =f(I)\leq \|f\|,}
where
I
{\displaystyle I}
is the identity operator:
I
=
∑
i
⟨
⋅
,
u
i
⟩
u
i
.
{\displaystyle I=\sum _{i}\langle \cdot ,u_{i}\rangle u_{i}.}
But this means that
T
f
{\displaystyle T_{f}}
is trace-class. An appeal to polar decomposition extend this to the general case, where
T
f
{\displaystyle T_{f}}
need not be positive.
A limiting argument using finite-rank operators shows that
‖
T
f
‖
1
=
‖
f
‖
.
{\displaystyle \|T_{f}\|_{1}=\|f\|.}
Thus
K
(
H
)
∗
{\displaystyle K(H)^{*}}
is isometrically isomorphic to
B
1
.
{\displaystyle B_{1}.}
As the predual of bounded operators
Recall that the dual of
ℓ
1
(
N
)
{\displaystyle \ell ^{1}(\mathbb {N} )}
is
ℓ
∞
(
N
)
.
{\displaystyle \ell ^{\infty }(\mathbb {N} ).}
In the present context, the dual of trace-class operators
B
1
{\displaystyle B_{1}}
is the bounded operators
B
(
H
)
.
{\displaystyle B(H).}
More precisely, the set
B
1
{\displaystyle B_{1}}
is a two-sided ideal in
B
(
H
)
.
{\displaystyle B(H).}
So given any operator
T
∈
B
(
H
)
,
{\displaystyle T\in B(H),}
we may define a continuous linear functional
φ
T
{\displaystyle \varphi _{T}}
on
B
1
{\displaystyle B_{1}}
by
φ
T
(
A
)
=
Tr
(
A
T
)
.
{\displaystyle \varphi _{T}(A)=\operatorname {Tr} (AT).}
This correspondence between bounded linear operators and elements
φ
T
{\displaystyle \varphi _{T}}
of the dual space of
B
1
{\displaystyle B_{1}}
is an isometric isomorphism. It follows that
B
(
H
)
{\displaystyle B(H)}
is the dual space of
B
1
.
{\displaystyle B_{1}.}
This can be used to define the weak-* topology on
B
(
H
)
.
{\displaystyle B(H).}
See also
References
- Mittelstaedt 2009, pp. 389–390.
- Conway 2000, p. 86.
- Reed & Simon 1980, p. 206.
- Reed & Simon 1980, p. 196.
- Reed & Simon 1980, p. 195.
- Trèves 2006, p. 494.
- Conway 2000, p. 89.
- Reed & Simon 1980, pp. 203–204, 209.
- Conway 1990, p. 268.
- Trèves 2006, pp. 502–508.
- Conway 1990, p. 267.
- Simon 2010, p. 21.
- Reed & Simon 1980, p. 218.
- Simon, B. (2005) Trace ideals and their applications, Second Edition, American Mathematical Society.
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