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Observables in quantum

mechanics

Hermitian transformations in Hilbert

space

; ; T T T T T T β α β α α α β β = ≡ ≡

Abstract definition of a Hermitian transformation can be given in

the form

In a finite dimensional space it can be represented with the help

of matrices as

( ) ( )

†

†

= b Ta Tb a

In a Hilbert space of square integrable functions the Hermitian

transformations can be presented as

*

*

ˆ ˆ

( ) ( ) ( ) ( ) x Tf x dx T x f x dx ψ ψ

⎡ ⎤ ⎡ ⎤

=

⎣ ⎦ ⎣ ⎦

∫ ∫

Examples of Hermitian

transformations. Finite dimension.

( ) ( )

( )

†

† * * * * * *

* *

2 1 2 1 2 1

2 ; 2 ; 2

1 2 1 2 1 2

2 1 1 2 1 2 3

1 2 3 2 2 1 2 3 1 2 2 3

1 2 3 1 2 2 3

1 2 1 2 3 2 1

i i i

i i i i i i

i i i

i a a ia a

b b b i i a b b b ia a ia

i a a ia a

b a ia a b ia

−

⎛ ⎞ ⎛ ⎞ ⎛ ⎞

⎜ ⎟ ⎜ ⎟ ⎜ ⎟

= − = − = − =

⎜ ⎟ ⎜ ⎟ ⎜ ⎟

⎜ ⎟ ⎜ ⎟ ⎜ ⎟

− −

⎝ ⎠ ⎝ ⎠ ⎝ ⎠

+ +

⎛ ⎞⎛ ⎞ ⎛ ⎞

⎜ ⎟⎜ ⎟ ⎜ ⎟

= − = − + + =

⎜ ⎟⎜ ⎟ ⎜ ⎟

⎜ ⎟⎜ ⎟ ⎜ ⎟

− − +

⎝ ⎠⎝ ⎠ ⎝ ⎠

+ + + −

T T T T

b Ta

¯

( ) ( )

( )

( )

( ) ( ) ( )

*

†

* * * * * * * * *

* * * * * * * * *

2 2 3 3 1 2 2 3

1

2 1 2 3 1 2 2 3 1 2 2 3 2

3

2 1 2 3 1 1 2 2 3 2 1 2 2 3 3

a ia b a ia a

a

b ib b ib b ib b ib b a

a

b ib b a ib b ib a b ib b a

+ + + − +

⎛ ⎞

⎜ ⎟

= − + + − + + =

⎜ ⎟

⎜ ⎟

⎝ ⎠

− + + + − + + +

Tb a

Examples of Hermitian operators.

Hilbert Space

Momentum operator

*

*

*

* * *

0 for square integrable

functions

( ) ( ) ( ) ( )

( ) ( )

( ) ( ) ( ) ( ) ( ) ( )

d d

g x i f x dx i g x f x dx

dx dx

d

f x i g x dx

dx

d d

g x i f x dx g x f x f x i g x dx

dx dx

∞

−∞

⎡ ⎤

⎛ ⎞ ⎛ ⎞

− = − =

⎜ ⎟ ⎜ ⎟

⎢ ⎥

⎝ ⎠ ⎝ ⎠

⎣ ⎦

⎛ ⎞

⎜ ⎟

⎝ ⎠

⎛ ⎞ ⎛ ⎞

− = +

⎜ ⎟ ⎜ ⎟

⎝ ⎠ ⎝ ⎠

∫ ∫

∫

∫ ∫

h h

h

h h

¸¸¸_¸¸¸

Coordinate operator

( ) [ ]

*

* *

( ) ( ) ( ) ( ) ( ) ( ) g x xf x dx xg x f x dx xg x f x dx = =

∫ ∫ ∫

Examples of Hermitian operators.

Hilbert space.

Kinetic energy

*

2 2 2 2

*

2 2

2 2 2 *

* *

2

0 for square integrable

functions

2 *

( ) ( ) ( ) ( )

2 2

( ) ( ) ( )

( ) ( ) ( )

2 2

( )

2

d d

g x f x dx g x f x dx

m dx m dx

d df x df x dg x

g x f x dx g x dx

m dx m dx dx dx

dg x

f

m dx

∞

−∞

⎡ ⎤

⎛ ⎞ ⎛ ⎞

− = −

⎢ ⎥ ⎜ ⎟ ⎜ ⎟

⎝ ⎠ ⎝ ⎠

⎣ ⎦

⎡ ⎤

⎢ ⎥

⎛ ⎞

⎢ ⎥

− = − − =

⎜ ⎟

⎢ ⎥

⎝ ⎠

⎢ ⎥

⎢ ⎥

⎣ ⎦

− −

∫ ∫

∫ ∫

h h

h h

¸¸¸_¸¸¸

h

2 *

2

0 for square integrable

functions

( )

( ) ( )

d g x

x f x dx

dx

∞

−∞

⎡ ⎤

⎢ ⎥

⎢ ⎥

+

⎢ ⎥

⎢ ⎥

⎢ ⎥

⎣ ⎦

∫

¸¸¸_¸¸¸

Eigen values of Hermitian

operators

Eigen values of Hermitian operators are real. Proof:

*

* *

ˆ ˆ ˆ

;

ˆ ˆ

;

.

Qf qf f Qf Qf f

f Qf f qf q f f Qf f qf f q f f

q f f q f f q q QED

= =

= = = =

= ⇒ =

A significant element of the proof is the assumption that the

eigen functions are normalizable.

Eigenfunctions of Hermitian

operators

Eigenfunctions belonging to different eigenvalues are

orthogonal. Proof:

( )

( )

*

ˆ ˆ ˆ ˆ

; ;

ˆ ˆ

;

0 , if 0

Qf qf Qg q g g Qf Qg f

g Qf g qf q g f Qg f q g f

q g f q g f

q g f q g f

q q g f g f q q

QED

′

= = =

′

= = = =

′ ′

=

′

= ⇒

′ ′

− = ⇒ − ≠

Completeness of the eigenfunctions

In a vector space with a finite dimension, it can be proven

rigorously that eigen functions of a hermitian transformation

span a space, so that any vector can be presented as a

linear combination of the basis.

In Hilbert space such a proof exists only for several particular

cases. Thus, we postulate that only those Hermitian

operators may represent physical observables, whose eigen

functions form a complete basis, so that

1

( ) ( )

n n

n

x c x ψ ϕ

∞

=

=

∑

Since this is an infinite sum there

appear a lot of mathematical issues

such as convergence of the sum, its

uniformity, etc.

“Hermitian” operators with

continuous spectra

Let’s find eigenfunctions of momentum operator. We

showed that it was a Hermitian operator on the class of

normalizable functions. What are its eigen functions?

( ) ( ) ( )

p

i x

d

i f x pf x f x Ae

dx

− = ⇒ =

h

h

These functions do not belong to Hilbert space, and there is

no restriction on the eigen number. We can, however,

require that we will only consider real p. In this case we have

something like orthonormality:

( )

2 2

*

( ) ( ) 2

p p

i x

p p

f x f x dx A e dx A p p π δ

′ ∞ ∞ −

′

−∞ −∞

′

= = −

∫ ∫

h

h

“Hermitian” operators with

continuous spectra. Continue.

Choosing

1

2

A

π

=

h

We get an expression very much

resembling orthonormality condition

( )

p p

f f p p δ

′

′

= −

It is also important that these

eigenfunctions are complete

1

( ) ( ) ( ) ( )

2

1

( ) ( )

2

p

i x

p

p

i x

f x c p f x dp c p e dp

c p f x e dx

π

π

∞ ∞

−∞ −∞

∞

−

−∞

= =

=

∫ ∫

∫

h

h

h

h

Coordinate operator

What are the eigenfunctions of the coordinate

operator?

ˆ

( ) ( ) ( )

y y y

xg x xg x yg x = =

y here is a fixed number (for a given function), while x is a

variable. The equality above can only hold if the eigen

function is zero everywhere, except of x=y.

*

2 2

*

( ) ( ); ( ) ( ) ( )

For 1 ( ) ( ) ( )

y y y

y y

g x A x y A g x g x dx A y y

A g x g x dx y y

δ δ

δ

′

′

′ ⎡ ⎤

= − = −

⎣ ⎦

′ ⎡ ⎤

= = −

⎣ ⎦

∫

∫

Completeness of these functions trivially follows from

properties of the delta-function.

Matrix representation of operators

Similar to the case of finite vector spaces, operators acting on functions

from Hilbert space allows for matrix representation. Assume that we

have a complete orthonormal system of functions Consider an

operator Q.

( )

n

x ψ

1

ˆ ˆ

( ) ( ); ( ) ( )

n mn m mn m n

m

Q x Q x Q x Q x ψ ψ ψ ψ

∞

=

= =

∑

The knowledge of the matrix allows to calculate the result of applying this operator

to any function:

1 1 1 1

1 1 1

ˆ ˆ ˆ

( ) ( ) ( ) ( )

( );

m m m m m nm n

m m m n

nm m n n nm m

n m m

Qf x Q c x c Q x c Q x

Q c x c Q c

ψ ψ ψ

ψ

∞ ∞ ∞ ∞

= = = =

∞ ∞ ∞

= = =

= = = =

⎛ ⎞

=

⎜ ⎟

⎝ ⎠

∑ ∑ ∑∑

∑ ∑ ∑

¯

“Matrix” representation for

continuous spectrum

ˆ ˆ

( ) ( , ) ( ); ( , ) ( ) ( )

p p p p

Q x Q p p x Q p p x Q x ψ ψ ψ ψ

′ ′

′ ′

= =

∫

ˆ ˆ ˆ

( ) ( ) ( ) ( , ) ( )

( , )

p p p p p p

p p

Qf x Q c x dp c Q x dp dpdp c Q p p x

c dp Q p p c

ψ ψ ψ

′

′

′ ′

= = =

′ ′

=

∫ ∫ ∫∫

∫

¯

In this form the operator Q appears as an integral operator

with a kernel Q(p,t). Knowledge of this kernel allows to

determine the results of applying the operator to any

function.

Basis of the eigen functions

Let ψ

n

(x) be a set of eigenfunctions of the operator

Q. What is its matrix in this basis?

1

1

2

3

ˆ

( ) ( );

ˆ

( ) ( ) ( ) ( )

0 0

0 0

0 0

n mn m

m

mn m n n m n n mn

mn

Q x Q x

Q x Q x q x x q

q

q

Q

q

ψ ψ

ψ ψ ψ ψ δ

∞

=

=

= = =

⎛ ⎞

⎜ ⎟

⎜ ⎟

=

⎜ ⎟

⎜ ⎟

⎝ ⎠

∑

. .

Its diagonal!

Diagonalization

A matrix, which is not diagonal in some basis can be made to be diagonal by the

change of the basis. Obviously that the new basis vectors must be eigenvectors of

the matrix.

( )

( ) ( )

1

1 1

old basis new basis (eigen vectors of Q presented in the basis )

The transformation matrix is defined as

multiply this expression by and sum over :

i i i

i ji j

ik

j

i ji j jk

ik ik

i j i

e f e

e S f S i

S e S S f δ

−

− −

=

= =

∑

∑ ∑∑

( )

1

j k

j

k i

ik

i

f f

f S e

−

=

=

∑

∑

For the given k, the k-th column of matrix S

-1

represent the components of the eigen vectors of

the operator in the old basis.

Diagonalization. II

( )

1

1

Let represent an operator in the original basis.

Let a k column for a given

ˆ

consists of components of repsective eigenvector of .

Then, the matrix in a new basis is:

;

mn

ik

mn

mn

Q

th S k

Q

Q

Q S

−

−

−

= = Q SQS

¯

¯ ¯

( )

( )

( )

1

,

1

1

Components of the eigen vectors in the new basis are

, which is natural for basis vectors.

mi ik

kn

i k

mi n n mn

in

i

ik i j ik

jk

Q S

S q S q

f S S

δ

δ

−

−

−

=

=

= =

∑

∑

¯

Diagonalization of two matrices

Consider two operators, Q, and T, represented in a certain basis by

matrices Q and T. When is it possible to diagonalize both of them using

the same basis? Answer: if and only if they commute.

n n

1. Assume that matrices can be diagonalized simultaneously.

Then if is a set of eigenvectors of one operator, it is also a set

of eigen vectors of the other operator: ;

n

n n n n

n n n

f

q t

g g

= =

= =

∑

Qf f Tf f

QTg QT f

n n n n n

n n n n n n n n

q t g

g g t q g

=

= = =

= ⇒ =

∑ ∑

∑ ∑ ∑

QTf f

TQg TQ f TQf f

Q Q g TQg T T TQ

Diagonalization of two matrices

ˆ ˆ ˆ ˆ ˆ ˆ

2. Assume that operators and commute: .

ˆ ˆ

Let be the set of eigenvectors of :

ˆ ˆ ˆ ˆ ˆ ˆ

. This means that is also

ˆ

an eigenvector of with the same eigenvalue.

n n n n

n n n n n

Q T QT TQ

f Q Q f q f

QT f TQ f q T f T f

Q

=

=

= =

Thus,

ˆ

n n n

T f t f =

Hermitian transformations in Hilbert space Abstract definition of a Hermitian transformation can be given in the form β Tα = T β α . T β ≡ T β In a finite dimensional space it can be represented with the help of matrices as b ( Ta ) = ( Tb ) a † † In a Hilbert space of square integrable functions the Hermitian transformations can be presented as ˆ ˆ ψ ( x) ⎡Tf ( x) ⎤ dx = ∫ ⎡Tψ ( x) ⎤ f ( x)dx ∫ ⎣ ⎦ ⎣ ⎦ * * . Tα ≡ T α .

T = ⎜ i 2 −i ⎟ . T† = ⎜ −i 2 i ⎟ = T ⎜ 1 −i 2 ⎟ ⎜1 i 2 ⎟ ⎜ 1 −i 2 ⎟ ⎝ ⎠ ⎝ ⎠ ⎝ ⎠ ⎛ 2 i 1 ⎞ ⎛ a1 ⎞ ⎛ 2a1 + ia 2 + a3 ⎞ ⎜ ⎟⎜ ⎟ ⎜ ⎟ b†Ta = ( b1* b 2* b3* ) ⎜ −i 2 i ⎟ ⎜ a 2 ⎟ = ( b1* b2* b3* ) ⎜ −ia1 + 2a 2 + ia3 ⎟ = ⎜ 1 −i 2 ⎟ ⎜ a3 ⎟ ⎜ a1 − ia 2 + 2a3 ⎟ ⎝ ⎠⎝ ⎠ ⎝ ⎠ b1* ( 2a1 + ia 2 + a3) + b 2* ( −ia1 + 2a 2 + ia3) + b3* ( a1 − ia 2 + 2a3) ⎛ a1 ⎞ ⎜ ⎟ b1* + ib 2* + 2b3* ) ⎜ a 2 ⎟ = ⎜ a3 ⎟ ⎝ ⎠ ( Tb ) * † a = ( 2b1* − ib 2* + b3* ib1* + 2b 2* − ib3* * ( 2b1 − ib2 + b3* ) a1 + ( ib1* + 2b 2* − ib3* ) a 2 + ( b1* + ib 2* + 2b3* ) a3 .Examples of Hermitian transformations. Finite dimension. ⎛ 2 i 1⎞ ⎛ 2 −i 1 ⎞ ⎛ 2 i 1⎞ ⎜ ⎟ ⎜ ⎟ ⎜ ⎟ T = ⎜ −i 2 i ⎟ .

Hilbert Space Momentum operator ⎡⎛ ⎤ d ⎞ d ⎞ ⎛ ∫ g ( x) ⎜ −i dx ⎟ f ( x)dx = ∫ ⎢⎜ −i dx ⎟ g ( x) ⎥ f ( x)dx = ⎝ ⎠ ⎠ ⎣⎝ ⎦ ⎛ d ⎞ * ∫ f ( x) ⎜ i dx ⎟ g ( x)dx ⎝ ⎠ * ∞ d ⎞ ⎛ ⎛ d ⎞ * * ∫ g ( x) ⎜ −i dx ⎟ f ( x)dx = g ( x) f ( x) −∞ + ∫ f ( x) ⎜ i dx ⎟ g ( x)dx ⎝ ⎠ ⎝ ⎠ * 0 for square integrable functions * Coordinate operator g ( x) ( xf ( x) )dx = ∫ [ xg ( x) ] f ( x)dx = ∫ xg * ( x) f ( x)dx ∫ * * .Examples of Hermitian operators.

Hilbert space.Examples of Hermitian operators. Kinetic energy ⎡⎛ d 2 ⎞ ⎤ ⎛d ⎞ * − ⎢ ⎥ ⎜ ∫ g ( x) ⎝ dx 2 ⎟ f ( x)dx = − 2m ∫ ⎣⎜ dx 2 ⎟ g ( x) ⎦ f ( x)dx 2m ⎠ ⎝ ⎠ 2 2 2 * ⎡ ⎤ ⎢ ⎥ ∞ 2 2 2 * ⎛d ⎞ df ( x) df ( x) dg ( x) ⎥ ⎢ * g * ( x) ⎜ 2 ⎟ f ( x)dx = − g ( x) dx ⎥ = − −∫ ∫ ⎢ 2m 2m dx −∞ dx dx ⎝ dx ⎠ ⎢ ⎥ 0 for square integrable ⎢ ⎥ functions ⎣ ⎦ ⎡ ⎤ ⎢ ⎥ ∞ 2 * 2 * d g ( x) ⎥ ⎢ dg ( x) − ⎢ − dx f ( x) + ∫ f ( x) dx 2 dx ⎥ 2m −∞ ⎢ ⎥ ⎢ 0 for square integrable ⎥ functions ⎣ ⎦ .

Eigen values of Hermitian operators Eigen values of Hermitian operators are real. Qf f = qf f = q* f f q f f = q* f f ⇒ q = q* . Proof: ˆ ˆ ˆ Qf = qf . QED A significant element of the proof is the assumption that the eigen functions are normalizable. . f Qf = Qf f ˆ ˆ f Qf = f qf = q f f .

if q − q′ ≠ 0 q g f = q′ g f ⇒ ( q − q′ ) QED . Proof: ˆ ˆ ˆ ˆ Qf = qf .Eigenfunctions of Hermitian operators Eigenfunctions belonging to different eigenvalues are orthogonal. g Qf = Qg f ˆ ˆ g Qf = g qf = q g f . Qg f = q′g f = ( q′ ) * g f = q′ g f g f = 0 ⇒ g f . Qg = q′g .

so that any vector can be presented as a linear combination of the basis. etc. Thus. we postulate that only those Hermitian operators may represent physical observables. it can be proven rigorously that eigen functions of a hermitian transformation span a space. whose eigen functions form a complete basis. In Hilbert space such a proof exists only for several particular cases. .Completeness of the eigenfunctions In a vector space with a finite dimension. so that ψ ( x) = ∑ cnϕn ( x) n =1 ∞ Since this is an infinite sum there appear a lot of mathematical issues such as convergence of the sum. its uniformity.

What are its eigen functions? d −i f ( x) = pf ( x) ⇒ f ( x) = Ae dx p i x These functions do not belong to Hilbert space. and there is no restriction on the eigen number. require that we will only consider real p. We can.“Hermitian” operators with continuous spectra Let’s find eigenfunctions of momentum operator. however. We showed that it was a Hermitian operator on the class of normalizable functions. In this case we have something like orthonormality: ∞ −∞ ∫ ∞ f ( x) f p′ ( x)dx = A * p 2 −∞ ∫e i p − p′ x dx = A 2π δ ( p − p′ ) 2 .

Choosing 1 A= 2π We get an expression very much resembling orthonormality condition It is also important that these eigenfunctions are complete ∞ f p′ f p = δ ( p − p′) ∞ 1 f ( x) = ∫ c( p ) f p ( x)dp = 2π −∞ 1 c( p) = 2π ∞ −∞ −∞ ∫ c ( p )e p i x dp ∫ f ( x )e p −i x dx . Continue.“Hermitian” operators with continuous spectra.

while x is a variable. . g y ( x) = Aδ ( x − y ). For A = 1 ⎡ ∫ ⎣g * y A 2 ∫ ⎡g ⎣ y ( x) ⎤ g y′ ( x)dx = A δ ( y − y′) ⎦ 2 * ⎤ ( x) ⎦ g y′ ( x)dx = δ ( y − y′) Completeness of these functions trivially follows from properties of the delta-function.Coordinate operator What are the eigenfunctions of the coordinate operator? ˆ xg y ( x) = xg y ( x) = yg y ( x) y here is a fixed number (for a given function). The equality above can only hold if the eigen function is zero everywhere. except of x=y.

Qmn = ψ m ( x) Q ψ n ( x) m =1 ∞ The knowledge of the matrix allows to calculate the result of applying this operator to any function: ˆ ˆ ˆ Qf ( x) = Q ∑ cmψ m ( x) = ∑ cmQψ m ( x) = ∑∑ cmQnmψ n ( x) = m =1 m =1 m =1 n =1 ∞ ⎛ ∞ ⎞ ∑ ⎜ ∑1 Qnmcm ⎟ψ n ( x). cn = ∑1 Qnmcm n =1 ⎝ m = m= ⎠ ∞ ∞ ∞ ∞ ∞ .Matrix representation of operators Similar to the case of finite vector spaces. Assume that we have a complete orthonormal system of functions ψ n ( x ) Consider an operator Q. ˆ ˆ Qψ n ( x) = ∑ Qmnψ m ( x). operators acting on functions from Hilbert space allows for matrix representation.

p′)ψ p′ ( x) c p = ∫ dp′Q( p. p )ψ p′ ( x). ˆ ˆ ˆ Qf ( x) = Q ∫ c pψ p ( x)dp = ∫ c p Qψ p ( x)dp = ∫∫ dpdp′c p Q ( p. p′)c p′ .t). p ) = ψ p′ ( x) Q ψ p ( x) In this form the operator Q appears as an integral operator with a kernel Q(p. Knowledge of this kernel allows to determine the results of applying the operator to any function. Q( p′.“Matrix” representation for continuous spectrum ˆ ˆ Qψ p ( x) = ∫ Q( p′.

Basis of the eigen functions Let ψn(x) be a set of eigenfunctions of the operator Q. m =1 ˆ Qmn = ψ m ( x) Q ψ n ( x) = qn ψ m ( x) ψ n ( x) = qnδ mn ⎛ q1 ⎜ ⎜0 = ⎜0 ⎜ ⎝ 0 q2 0 0 0 q3 ⎞ ⎟ ⎟ ⎟ ⎟ ⎠ Its diagonal! Qmn . What is its matrix in this basis? ∞ ˆ Qψ n ( x) = ∑ Qmnψ m ( x).

the k-th column of matrix S-1 represent the components of the eigen vectors of the operator in the old basis. .Diagonalization A matrix. ei old basis fi new basis (eigen vectors of Q presented in the basis ei ) The transformation matrix is defined as ei = ∑ S ji f j multiply this expression by ( S −1 ) and sum over i : j ik S −1 ) ei = ∑∑ S ji ( S −1 ) ∑( i ik j i ik fj = ∑ δ jk f j j = fk f k = ∑ ( S −1 ) ei i ik For the given k. which is not diagonal in some basis can be made to be diagonal by the change of the basis. Obviously that the new basis vectors must be eigenvectors of the matrix.

Then.k kn S mi qn ( S −1 ) = qnδ mn ∑ i in Components of the eigen vectors in the new basis are fik = Si j ( S −1 ) = δ ik . Let a k − th column ( S −1 ) for a given k ik ˆ consists of components of repsective eigenvector of Q. jk . the matrix Qmn in a new basis is: Q = SQS −1 .Diagonalization. Qmn = ∑ S mi Qik ( S −1 ) = i . II Let Qmn represent an operator in the original basis. which is natural for basis vectors.

When is it possible to diagonalize both of them using the same basis? Answer: if and only if they commute.Diagonalization of two matrices Consider two operators. represented in a certain basis by matrices Q and T. Assume that matrices can be diagonalized simultaneously. it is also a set of eigen vectors of the other operator: Qf n = qnf n . Then if f n is a set of eigenvectors of one operator. and T. Q. Tf n = tnf n TQg = TQ∑ g nf n = ∑ g n TQf n = ∑ tn qn g nf n QTg = TQg ⇒ QT = TQ QTg = QT∑ g nf n = ∑ g nQTf n = ∑ qntn g nf n . 1.

Diagonalization of two matrices ˆ ˆ ˆ ˆˆ ˆ 2. This means that T f n is also ˆ an eigenvector of Q with the same eigenvalue. ˆ ˆ Let f be the set of eigenvectors of Q : Q f = q f n n n n ˆˆ ˆˆ ˆ ˆ QT f n = TQ f n = qnT f n . ˆ T f =t f n n n . Assume that operators Q and T commute: QT = TQ. Thus.

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- Discrete Metric Space

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