Professional Documents
Culture Documents
x T = ~ 2 x
p = i~
2
= x
2m
= i~
p p = pT = p2
x 2m
1)(operator )()
2)()
3) ()
3.1
1. Hilbert
Hilbert
n
= n cn n |cn |2
HilbertA
|A|
A =
|
A(1 , 2 ) = 1 |2 = 1 2 d
operator
-n (x) =
2
a sin nx
a (n = 1, 2, ...)Hilbert
1) Hilbert n m dx = mn
2) ()
3) (1 , 2 ) = 1 |2 = 1 2 d
Hilbert
1
Chapter III Representations
2.
1)
(A + B) = A + B
A + B = B + A
A + (B + C) = (A + B) + C
2) ABAB
AB = A(B)
AB = B A
Example: xp pxT p pT
(x)
xp = x(i~ ) = i~x
x x
px = i~ (x) = xi~ i~
x x
xp px = i~
~2 2 i~3 3
T p = (i~ ) =
2m x2 x 2m x3
~2 2 3
i~ 3
pT = i~ ( ) =
x 2m x2 2m x3
T p pT = 0
(p)
xp = i~ (p) = i~ + i~p
p p
px = p(i~ ) = i~p
p p
xp px = i~
p2 p3
T p = (p) =
2m 2m
p2 p3
pT = p( ) =
2m 2m
T p pT = 0
2
Chapter III Representations
E t tE = i~
E = i~ t t = t
3) AnAn
An A A...A
3.2
[A, B] = AB BA
Heisenberg
Proof: [1 , 2 ] = 0
1
(1 )(2 )
|[1 , 2 ]|
2
1 = 1 d3 x = ( )2
A = (1 1 )B = (2 2 )
(1 )2 = ( )2 = A2 = A2 d3 x
= ( A)(A)d3 x = (A) (A)d3 x A2
A2 A
(1 ) = A
(2 ) = B
[A, B] = [1 1 , 2 2 ] = [1 , 2 ]
1 1
(1 )(2 ) = AB |[1 , 2 ]| = |[A, B]|
2 2
3
Chapter III Representations
1
A B |[A, B]|
2
Cauchy-Schwarz
|(, )|
A B |(A, B)| = | (A) (B)d3 x| = | ABd3 x|
1 1 1 1
AB = (AB + B A) + (AB B A) = [A, B]+ + [A, B]
2 2 2 2
[A, B]+ AB + B A
()()
|a + ib| = |a|2 + |b|2
1 1
(1 )(2 ) | ( [A, B]+ + [A, B])d3 x|
2 2
1
= {| [A, B]+ d x| + | [A, B]d3 x|2 }1/2
3 2
2
1
| [A, B]d3 x|
2
1
= | [1 , 2 ]d3 x|
2
1
(1 )(2 ) |[1 , 2 ]|
2
()
Heisenberg
1 ~
(x)(p) |[x, p]| =
2 2
1 ~
(E)(t) |[E, t]| =
2 2
4
Chapter III Representations
3.3
: H = E
p2 1 2 2 ~ 1 2 m 2
H = + m x = [( p) + ( x) ]
2m 2 2 m~ ~
~ 1 ~d 2 m 2
= [( ) +( x) ]
2 m~ dx ~
m m
= x = x =
~ ~
d d d m d d
= = =
dx d dx ~ d d
~ 1 m d 2 ~ 2 d2
H = [( ~ ) + 2] = [ 2 ]
2 m~ ~ d 2 d
1 m 1 1 d
A = ( x + i p) = ( + )
2 ~ m~ 2 d
1 m 1 1 d
A+ = ( x i p) = ( )
2 ~ m~ 2 d
1 d 1
= (A + A+ ) = (A A+ )
2 d 2
~ ~
H= [(A + A+ )2 (A A+ )2 ] = (AA+ + A+ A)
4 2
[A, A+ ] = 1
1 m 1 m 1
+
[A, A ] = [ x + i p, x i p]
2 ~ m~ ~ m~
1 m 1 1 1 m
= [ x, i p] + [i p, x]
2 ~ m~ 2 m~ ~
i m 1
= ([x, p] [p, x])
2 ~ m~
i m 1
= 2i~ 1
2 ~ m~
AA+ A+ A = 1 AA+ = A+ A + 1
~ ~
H = (2A+ A + 1) = ~ A+ A +
2 2
N = A+ A
N + = (A+ A)+ = A+ A = N
N = (, N ) = (, A+ A) = (A, A) 0
5
Chapter III Representations
N N |n = n|n [N , A] = [A+ A, A] = A
A+ A 0
~
E0 =
2
~ ~
xp x
2 2p
(p)2 1 (p)2 1 ~2 1
E = + m 2 (x)2 = + m 2
2m 2 2m 2 4 (p)2
1 m~ 1 2 1
= [(p ) + m~] ~
2m 2 p 2
()
1 d
A0 () = 0 = ( + )0 ()
2 d
d0 () d0 ()
= 0 () = = d
d 0 ()
C0 e
2
/2
0 () =
x( ex dx = )
2
m 1/4
0 (x)0 (x)dx = 1 = C0 = ( )
~
:
()
~ ~
H = N ~ + = En = n~ + (n = 0, 1, 2, ...)
2 2
A+ n () n+1 ()
1 d C d
( )0 () = 0 ( )e /2
2
A+ 0 () =
2 d 2 d
c0 1
= 2e /2 = C0 ( )(2)e /2
2 2
2 2
1
= C0 ( )H1 ()e /2
2
with H1 () = 2
2
6
Chapter III Representations
1 () = C1 H1 ()e
2
/2
1 C12
(H1 ()e /2 ) (H1 ()e /2 )d
2 2
1 = 1 (x)1 (x)dx = 1 ()1 ()d =
C12 2 C12 2
= ( A+
0 ()) ( A+
0 ())d = 0 ()AA+ 0 ()d
C02 C02
C12 2 C12 2 2 2
= 0 ()( A+
A + 1) 0 ()d = (1) 0 () 0 ()d = C1 2 (1) 0 (x)0 (x)dx
C02 C02 C0
C02 C0
C12 = = C1 =
2 2
1 1 d
A+ 1 () = C0 ( ) ( )[(2)e /2 ]
2
(A+ )2 0 () =
2 2 d
1 2
= C0 ( ) [2(2 2 1)]e /2
2
2
1 2
= C0 ( ) H2 ()e /2 with H2 () = 2(2 2 1)
2
2 () = C2 H2 ()e
2
/2
1
(A+ )n 0 () = C0 ( )n Hn ()e /2
2
n () = Cn Hn ()e
2
/2
Hn ()n(Hermite)
d n 2 /2
e
2
/2
Hn () = ( ) e
d
de Hn ()Hm () = n,m 2n n!
2
1:
dHn ()
= 2nHn1 ()
d
2Hn () = Hn+1 () + 2nHn1
2:
d2 Hn dHn
2 + 2nHn = 0
d 2 d
n () = Cn Hn ()e = cn Hn (x)e
2 2
/2 x2 /2
7
Chapter III Representations
1 = dxn (x)m (x) = c2n n,m 2n n! /
1 1/2 m 1/4 1
cn = ( ) ( ) = ( n )1/2 C0
2n n! ~ 2 n!
cn Hn
1 d 1 d
( + )n () = ( + )Cn Hn ()e /2
2
An () =
2 d 2 d
de
2
/2
C dHn () 2 /2
n (Hn ()e /2 +
2
= e + Hn () )
2 d d
de
2
/2
C dHn () 2 /2
n (Hn ()e /2 + e
2 2
= e Hn () /2
)
2 d d
Cn dHn () 2 /2 Cn
= 2nHn1 ()e /2
2
= e
2 d 2
Cn
= n 2nn1 ()
Cn1
1
Cn = Cn1
2n
3
An () = nn1 ()
A+ n () = n + 1n+1 ()
A+ An () = nn ()
A+ A = N
DOS (density of state)0DOS
3.4
1.
A
A(a1 1 + a2 2 ) = a1 A1 + a2 A2
1 2 a1 a2
2.
AB
A = B =
8
Chapter III Representations
AB
B = A1 A = B 1
AA1 = A1 A = I (A1 )1 = A
1 1
(A)1 = A (A1 A2 )1 = A1 1
2 A1
I
3.
A A
px = i~ x
= px = i~ x
= px
AAT
= ( , A )
(, AT )
T
d A = d A
pTx = px
(AB)T = B T AT
T
A11 A12 ... A1n A11 A12 ... A1n
A A21
(c1 , c2 , ..., cn )
21
T (c1 , c2 , ..., cn )T
(d1 , d2 , ..., dn ) = (d1 , d2 , ..., dn )
... ...
An1 Ann An1 Ann
AA+
(, A+ ) = (A, )
(, A+ ) = (, A) A+ = (A )T
(A+ )+ = A (A + B)+ = A+ + B +
(A)+ = A+ (AB)+ = B + A+
A+ = AAA
(, A) = (A, )
9
Chapter III Representations
1)
A =
(, ) = (, ) = (, A) = (A, ) = (, ) = (, )
= ()
2)
A1 = 1 1 A2 = 2 2
(2 , A1 ) = 1 (2 , 1 )
(A2 , 1 ) = 2 (2 , 1 ) = 2 (2 , 1 )
(1 2 )(2 , 1 ) = 0
1 = 2
(2 , 1 ) 0
3)
4.
(x)(x)U
(U , U ) = (, )
U U 1 U U 1 = U 1 U = IU
AA+
(, A) = (A+ , )
U U
U U + = U + U = I
U + = U 1
: 1) 2)
5.
10
Chapter III Representations
F (x)
F (n) (0) n
F (x) = x
n=0
n!
AF (A)
F (n) (0) n
F (A) = A
n=0
n!
F (x) = ex
d d
dx n d n
F( ) = e = ( )
dx n=0
n! dx
3.5
1. F
F = (, F ) = |F |
2.
F
()
(F )2 = (F F )2 = (, (F F )2 )
(F F )
(F )2 = ((F F ), (F F )) 0
(F )2 = 0F
(F F ) = 0
F =
F F
3.
n n {n }Hilbert
(x, t) = Cn (t)n (x)
n
11
Chapter III Representations
Cn (t)
Cn (t) = (n (x), (x, t)) = n (x)(x, t)d
1 = ((x, t), (x, t)) = Cn (t)Cm (t)(m (x), n (x)) = |Cn (t)|2
nm n
1
F = ((x, t), F (x, t)) = Cn (t)Cm (t)(m (x), F n (x))
nm
= Cn (t)Cm (t)n (m (x), n (x))
nm
= n |Cn (t)|2
n
|Cn (t)|2
1)
A = A = (, A)/(, ) = |A|/|
2)
An = an n
3)A{n }Cn
= Cn (t)n (x)
n
Cn = (n (x), (x, t))
Example(x) = A cos x
2a
+ A sin x
a
+ A
4
cos 3x
2a
x [a, a]
0 |x| < a
V (x) = { .
|x| > a
[0, a]A sin nx
a
A sin n
(x + a) |x| < a
(x) = { 2a
.
0 |x| > a
n = 0, 2, 4, ...n = 1, 3, 5, ...
n2 2 ~2 n2 2 ~ 2
En = 2
= n = 1, 2, 3, ...
2m(2a) 8ma2
A
= A1 A2 + 3
4
12
Chapter III Representations
Cn
2 ~2
1 E1 = 8ma2
|A|2 16
P1 = =
|A|2 + |A|2 + | A
4
| 2 33
2 ~2 9 2 ~2
E2 = 2ma2
16
33
E3 = 8ma2
1
33
3.6
1.
F G{n }
F n = fn n Gn = gn n
[F , G]n = (F G GF )n = (fn gn gn fn )n 0
[F , G] = 0F G
= n cn n {n }
[F , G] = 0[F , G] = n [F , G]n = 0
2. n F F n = fn n [F , G] = 0
1) n
F Gn = GF n = fn Gn
Gn F Gn = gn n (Gn cn n cn gn )
2) n L
F nj = fn nj j = 1, 2, 3, ..., L
nj ()nj G
F (Gnj ) = GF nj = fn Gnj
Gnj F fn
Gnj = gij ni
i
F fn G
G = g
13
Chapter III Representations
G = cj Gnj = cj gij ni
j ij
g = g ci ni
i
g ci = gij cj
j
L
(gij g ij )cj = 0
j=1
LLcj
det |gij g ij | = 0
G+ = Ggij = gji Lg
cj n
L
n = cj nj
j=1
n F G
F n = fn n
Gn = g n
[F , G] = 0
3.7
A(A1 , A2 , A3 , ...)
(A1 , A2 , A3 , ...)
1.
2.
14
Chapter III Representations
ny y
nx ny (x, y) = 2
ab
sin nxax sin b
2
2 ~2 nx n2y
Enx ny = 2m ( a2 + b2 )
xynx ny
Ai ni ni
(A1 , A2 , A3 , ...)(n1 , n2 , n3 , ...)
()
Sz Sz nx ny + (x, y)nx ny (x, y)
3.
1) Hilbert
2)
3)
3.8
x
1. x
(x x0 )(x x0 ) = 0
(x x0 ) = x(x x0 )
x
(x x0 )(x x0 )dx = (x0 x0 )
(x x0 )dx = 1
2. pp = i~
x
|px (x)|2 dx =
1
(x x0 ) = eikx (xx0 ) dkx
2
(px px ) = 2~ ei(px px )x/~ dx
15
Chapter III Representations
px (x)px (x)dx = |c| 2
ei(px px )x/~ dx = 2~|c|2 (px px )
c = 1/ 2~
1
px (x) = exp(ipx x/~)
2~
3.
1)
= r p()
L
i j k
= r p = x y z
L
px py pz
Lx = y pz z py Ly = z px xpz Lz = xpy y px
( zr ) 1 z
cos = z/r = sin = = = ( )
x x x sin x r
y 1 y
tan = = 2
= ( )
x cos x x x
Lx = i~(y z ) = i~[y( + ) z( + )]
z y z z y y
= i~[ (y z )+ (y z )]
z y z y
= i~[sin + cot cos ]
16
Chapter III Representations
Ly = i~(y z ) = i~[cos cot sin ]
z y
Lz = i~(x y ) = i~
y x
2) (L2 , Lz )
[L , L ] = i~L
Lx Ly Lz
[L2 , Lx,y,z ] = 0
= i~(Ly Lz Lz Ly + Lz Ly + Ly Lz ) 0
[L2 , Ly ] = 0 [L2 , Lz ] = 0
17
Chapter III Representations
L2 Lx Ly Lz
(L2 , Lz )((L2 , Lx )(L2 , Ly ))
(L2 , Lz )lm
Lz = i~
i~ () = lz ()
() = C exp(ilz /~)
+ 2Lz
( + 2) = ()
lz = m~ m = 0, 1, 2, ...
Lz m
1
m () = eim
2
(L2 , Lz )Y (, )Lz Y (, )
Y (, ) = ()m ()
L2
L2 Y (, ) = ~2 Y (, )
1 1 2
~2 [ sin + ]()m () = ~2 ()m ()
sin sin2 2
1 d d m2
(sin ()) + ( )() = 0
sin d d sin2
~2 L2 [0, ]
= l(l + 1) l = 0, 1, 2, ...
|m| l
lL2
(2l + 1) (l m)! m
lm () = (1) m
P (cos )
2 (l + m)! l
18
Chapter III Representations
Ylm
L Lz lm
2
l(2l + 1)
3)
L+ L
L+ = Lx + iLy L = Lx iLy
L+ + L L+ L
Lx = Ly =
2 2i
Ylm L+ L (L L+ )
1
L2 = [L2z + (L+ L + L L+ )]
2
+
= L L + L2z ~Lz
L+ L m
L Ylm = l(l + 1) m(m 1)~Yl m1
3.9
F
n n{n }HilbertF {n }
19
Chapter III Representations
1.
1).
x(
){(x, t)}
()(x, t)
(x, t) = dx (x , t)(x x ) = dx (x , t)c(x )
p{(p, t)}Fourier
1
(x, t) = dp(p, t) eipx/~ = dp(p, t)c(p)
(2~)1/2
F {n }( n =
1, 2, ..., N )F (x, t)
(x, t) = cn n
n
cn = (n , )
{cn }
1
2
(x, t) = (c1 , c2 , c3 , ...)
3
...
{cn } (n = 1, 2, ...)F
{n }
c1 1 0 0
c2 0 1 0
c =
= c1 + c2 + ... + cn
... ... ... ...
cn 0 0 1
20
Chapter III Representations
1 0 0
0 1 0
,
, ...
cHilbert
... ... ...
0 0 1
F
c1
c2
=
...
cn
2) ()
()
F {n }L( = k ak k )
=
L
= k bk k
= =
L
b k k = L a l l = l al
L
k l l
j
bk j k d3 x = bj = al l d3 x =
j L l )
al (j , L
k l l
bj = Ljl al
l
Ljl LF
l )
Ljl = (j , L
2.
Fourier
Schrodinger Heisenberg
21
Chapter III Representations
1)
F GF G{k }{k }
(k , k ) = kk (k , k ) = kk
F G
F k = fk k Gk = gk k
{k }{k }
= ai i = b j j
i j
ai = (i , ) bj = (j , )
{k }i
i = bj j = (j , i )j =
Sij j
j j j
Sij = (i , j )
|i = j
Sij |j = j |j j |i j |j j | = 1
GF Sij SG
F
j = ai i = (i , j )i = i Sij
i i i
i = Sij j = Sij l Slj = l = ( Sij Slj )l
j j l l l j
l = i
Sij Sij = 1
j
S
(X = SS + = S(S )T , Xij = k
Sik (Sjk ), i = j 0 Xii = 1
SS + = 1S)
2)
F {k }aG{k }b
N
N
= a k k = bm m
k=1 m=1
ak
ak = (k , ) = (k , bm m ) = (k , m )bm = Skm bm
m m m
22
Chapter III Representations
GF Skm
a = Sb
N
bm = Smk ak Smk = (m , k ) = Skm
k=1
b = S +a
F G
= (a1 , a2 , ...)T
= (b1 , b2 , ...)T
= S
= S+
3)
AF GAA
Anm = (n , Am ) Aij = (i , Aj )
Anm = ( Sni i , Smj Aj ) = Sni Smj (i , Aj )
i j i,j
= Sni Aij Smj
= Sni Aij Sjm
+
i,j i,j
A = SA S +
A = S + AS
j = 1J2 JZ Jx Jy
23
Chapter III Representations
J Yjm = j(j + 1) m(m 1)~Yjm1
(Yjm , J Yjm ) = j(j + 1) m (m 1)~m,m 1
0 2 0 0 0 0
J+ = ~ 0 0 2 J = ~ 2 0 0
0 0 0 0 2 0
0 2 0
1 + ~
Jx = (J + J ) = 2 0 2
2 2
0 2 0
0 2 0
1 + i~
Jy = (J J ) = 2 0 2
2i 2
0 2 0
1 0 0
Problem: 1 2 3 Hamiltonian H = ~0 0 2 0
0 0 2
1 0 0
= 12 1 + 12 2 + 12 3 (1) E(2) A = a 0 0 1 A(3) HA
0 1 0
(1)
Hi = Ei i
24
Chapter III Representations
3
3
H = H cn n = cn En n
n=1 n=1
E = ~0 ( 12 )2 E = 2~0 ( 12 )2 + ( 12 )2
3
~0 2~0 3~0
E = (, H) = |cn |2 En = +2 =
n=1
2 4 2
1/ 2
= 1/2
1/2
1 0 0 1/ 2
3~0
E = (, H) = ( 1
1 1 ) 0 2 0 1/2 ~0 =
2 2 2 2
0 0 2 1/2
(2) A
A
T
= ( x1 x2 x3 )
A = a
1 0 0 x1 x1 1 0 0 x1
0 0 1 x2 = x2 = 0 1 x2 =0
0 1 0 x3 x3 0 1 x3
1 0 0
| 0 1 | = 0 = (1 )( 1) = 0
2
0 1
= 1, 1, 1 ( = 1)x1 , x2 , x3
= 1: x1 = 0x2 = x3 (3 )
= 1: x2 = x3 x1 x1 = 1, x2 = x3 = 0x1 = 0, x2 = x3 = 1/ 2
1 0 0
1 1
1 = 0 2 = 1 3 = 1
2 2
0 1 1
1 2 3 c1 c2 c3
3
= cn n cn = (n , )
n=1
25
Chapter III Representations
1/ 2
1
c1 = ( 1 0 0 ) 1/2 =
2
1/2
1/ 2
1 1
c2 = ( 0 1 1 ) 1/2 =
2 2
1/2
1/ 2
1
c3 = ( 0 1 1 ) 1/2 = 0
2
1/2
HA
Sij = (i , j )
1 0
S11 = ( 1 0 0 ) 0 = 1 S12 = ( 1 0 0 ) 1 = 0 S13 = 0
0 0
0
1 1 1
S21 = 0 S22 = ( 0 1 1 ) 1 = S23 =
2 2 2
0
1 1
S31 = 0 S32 = S33 =
2 2
c1 1/ 2 1 0 0 1/ 2 1/ 2
c2 =S 1/2 = 0 1/ 2 1/ 2 1/2 = 1/ 2
c3 1/2 0 1/ 2 1/ 2 1/2 0
(3)
1 0 0 1 0 0 1 0 0 1 0 0
H = S HS = ~0 0 1/ 2
+
1/ 2 0 2 0 0 1/ 2 1/ 2 = 0 2 0
0 1/ 2 1/ 2 0 0 2 0 1/ 2 1/ 2 0 0 2
3.10 Dirac
DiracDirac1)
2)
B......
()A
B
A B
A
26
Chapter III Representations
1) (bra)(ket)
Hilbert|A A
(|lm)(
)|lm|lm
p |r(|
|lm (t)|r| p )r(
p )
p = p |
r|r = r|r(p| p )
|AA|
A| = (|A)+ |A = (A|)+
2)
|A|B|A
B|
B|A = |A|B
B|A = B (r)A (r)dr
|AB|
B|A = A|B
|A(A|)A|A()
1()
{|}{|}
i |j = ij
| = ( )
lm|l m = ll mm r |r = (r
r )
p |
p = (
p p
)
27
Chapter III Representations
|i i | = I
i
|d| = I
|i i |
|i i | + | d | = I
i
|A
|A = ai |i + a()|d
i
j |
j |A = ai j |i = aj
i
|
|A = a( )
|A = i |A|i + |A|d = |i i |A + ||Ad
i i
3)
B|A|A|B
r|A = A (r)
ArA (r)
eipr/~ eipr/~
r|
p = p =
p|r = r|
(2~)3/2 (2~)3/2
1
r|r = r|
pd p|r =
p peip(rr )/~ = (r r )
d
(2~)3
HilbertDirac
Dirac,
r)
(p
|ADirac
A||A
= = A||A (|A)
A|A
28
Chapter III Representations
|A
Schrodinger Dirac
|(r, t) p2
i~ ={ + V (r)}|(r, t)
t 2m
Example:
r |p
= i~ r |
r
|r
p = i~ |r
r
|Ar |p |A|A
r |p
|A = r |p p
| p |Ad
p = p r |
p
p |Ad
p
eipr /~
=
p A ( p )d
p
(2~)3/2
p
d
= i~ eipr /~ A (p )
r (2~)3/2
= i~ A (r ) = i~ r |A
r r
|Ar
r |p
= i~ r |
r
p
r
|r r
p
r| = i~ |
p
p
p |r
= i~ p |
p
29