18. more special functions
DESCRIPTION
18. More Special Functions. Hermite Functions Applications of Hermite Functions Laguerre Functions Chebyshev Polynomials Hypergeometric Functions Confluent Hypergeometric Functions Dilogarithm Elliptic Integrals. 1.Hermite Functions. Hermite ODE :. Hermite functions - PowerPoint PPT PresentationTRANSCRIPT
18. More Special Functions
1. Hermite Functions
2. Applications of Hermite Functions
3. Laguerre Functions
4. Chebyshev Polynomials
5. Hypergeometric Functions
6. Confluent Hypergeometric Functions
7. Dilogarithm
8. Elliptic Integrals
1. Hermite Functions
2 2 0n n nH xH nH Hermite ODE :
Hermite functionsHermite polynomials ( n = integer )
2 2n
n x xn n
dH x e e
d x
2 2
2 0x xn ne H n e H
Rodrigues formula
exp 2w d x x 2xe
0
0
1
qd x
p
nn
n n
p y q y y
wp wq w pe
w p y w y
dy w p
w d x
2 2
0
,!
nt t x
nn
tg x t e H x
n
Generating function :Assumed starting point here.
Hermitian form
Recurrence Relations 2 2
0
,!
nt t x
nn
tg x t e H x
n
2
12
1
21 !
nt t x
nn
g tt x e H x
t n
10 0
2! !
n n
n nn n
t tt x H x H x
n n
0 11
2 2 2!
n
n nn
txH x nH x xH x
n
1 02H x xH x 1 12 2n n nH x nH x xH x 1n
2 2
0
2!
nt t x
nn
g tte H x
x n
1
0 1
2 2! 1 !
n n
n nn n
t tt H x H x
n n
1 11 !
n
nn
tH x H x
n
0 0H x 12n nH x nH x 1n
0,0 1g x H x All Hn can be generated by recursion.
Table & Fig. 18.1. Hermite Polynomials
Mathematica
Special Values 2 2
0
,!
nt t x
nn
tg x t e H x
n
2
0
0, 0!
nt
nn
tg t e H
n
2
0 !
nn
n
t
n
2 1 2
2 1 20 0
0 02 1 ! 2 !
n n
n nn n
t tH H
n n
2 1 0 0nH 2
2 !0
!n
n
nH
n 0n
2 2
0
,!
nnt t x
nn
tg x t e H x
n
0 !
n
nn
tH x
n
n
n nH x H x
Hermite ODE 1 12 2n n nH x nH x xH x
12n nH x nH x
1 2n n nH H xH
1 2 2n n n nH H H xH 2 1 2 2n n nn H H xH
2 2 0n nH xH nH Hermite ODE
Rodrigues Formula 2 2
0
,!
nt t x
nn
tg x t e H x
n
2 2t t xge
t t
22 t xxe et
22 t xxe e
x
1
1 1 !
n
nn
tH x
n
2 2
0
n nn x x
n n
t
ge e
t x
nH x 0n
22n n
t xxn n
ge e
t t
22
nn t xx
ne e
x
!m n
mm n
tH x
m n
Rodrigues Formula
Series Expansion 2 2
0
,!
nt t x
nn
tg x t e H x
n
2 2
0
2
!
mmt t x
m
t t xe
m
0 0
2!
m mm j jm
jm j
tC x t
m
0 0
2! !
jmm j m j
m j
x tm j j
n m j
k j
0, ,
0, ,
n
k m
2j m n m 0, ,2
nk
consistent only if n is even
For n odd, j & k can run only up to m 1, hence &
/22
0 0
22 ! !
knn k n
n k
g x tn k k
2 1n m max
11 / 2
2k n n
/22
0
22 ! !
knn k
nk
H x xn k k
Schlaefli Integral
1
0
1
1
1 !
2
nn
n n
n
n nC
p y q y y
qw d x
p p
dy w p
w d x
n w py x d z
w i z x
2
2
1
!
2
tx
n nC
n eH x e d t
i t x
2 2 0n nH xH nH
2
1 xp w e
2
2
1
!
2
s xx
nC
n ee d s
i s
s t x
2 2
1
!
2
s x s
n nC
n eH x d s
i s
Let
Orthogonality & Normalization2 2 0n nH xH nH
2
1 xp w e
2xn m n nmd x e H x H x c
n m n nmd x x x c
2 / 2xn nx e H x
2 / 2xn nH e 2 / 2x
n n nH e x
2 / 2xn n n n n nH e x x x 2 / 2 22 1x
n n ne x x
22 1 2 2 0n n n n n nx x x x n
22 1 0n nn x
Orthogonal
2 2
0 0
, ,! !
n mx x
n mn m
s td x e g s x g t x d x e H x H x
n m
2 2
0
,!
nt t x
nn
tg x t e H x
n
2 2 22 2
0 0 ! !
n mx s s x t t x
nm nn m
s td x e e e c
n m
22 2 2
20 !
n nx s t xs t
nn
s te d x e c
n
2ste
0
2
!
nn n
n
s tn
2 !n
nc n
2
2 !x nn m nmd x e H x H x n
2xn m n nmd x e H x H x c
Set
Let
2. Applications of Hermite Functions
Simple Harmonic Oscillator (SHO) :2
21
2 2
pH k z
m
2 2
22
1
2 2
dk z z E z
m d z
x z2 2
22
1
2 2k x E
m
22 1 0n nn x
d
d x
22 2 2 4
20
m mE k x z
2 41
mk
1/4
2
m k
2 2
2mE
2 0x
2 mE
k
m
k
m
2E
n
mz
n nz x
2 0x 2E
mx z z
22 1 0n nn x
1
2nE n
2 / 2xne H x
2
2
mz
n
me H z
2 1n
2
2
mz
n n
mz e H z
Eq.18.19
is erronous
Fig.18.2. n
Mathematica
Let
Operator Appoach2
2 21
2
pH m x E
m
,x p f x p px f r
,x p i
i x x fx x
f fi x x f
x x
i f
see § 5.3
2
2 2 2 21 1 pm x i p m x i p m x i x p px
mm m
2
2
1
1
b m x i pm
b m x i pm
4bb b b H
2
2 2 2 21 1 pm x i p m x i p m x i x p px
mm m
2 ,bb b b i x p 2
Factorize H :
Set 2
ba
, 1a a
1
2 2
1
2 2
ma x i p
m
ma x i p
m
1
2H aa a a 1
2a a
2
2
1
1
b m x i pm
b m x i pm
4bb b b H
2bb b b
1
2
1
2
ma x i p
m
ma x i p
m
or
, 1a a 1
2H a a
, , 0A A A c
, , ,A BC B A C A B C
c = const , ,a H a aa ,a a a a
n nH a aH a n nE a
1n na with 1n nE E
, ,a H a aa ,a a a a
n nH a a H a n nE a
1n na with 1n nE E
i.e., a is a lowering operator
i.e., a+ is a raising operator
Since
n n n na a a a 1
2n n
H
1
2nE
0ma 0j j m we have ground state 1
2mE
1
2m nE n
1n nE E
Set m = 0 1
2nE n
with ground state 0
1
2E
1
2
ma x i p
m
1
2
ma x i p
m
1n na
1n na
n na a n
Excitation = quantum / quasiparticle :a+ a = number operator
a+ = creation operator a = annihilation operator
1n na n
n na a n
11n na n
ODE for 0
0 0a
1
2
ma x i p
m
0 0d
xm d x
0
0
d mx d x
20ln
2
mx C
20 exp
2
mA x
Molecular Vibrations
Born-Oppenheimer approximation :
intelec nuclH H H H
nucl transl vib rotH H H H
For molecules or solids :
For molecules :
e nm m ;elecH E r R r R r R treated as parameters
vibH E R R R
nucl vibH HFor solids : R = positions of nucleir = positions of electron
Harmonic approximation : Hvib quadratic in R.
Transformation to normal coordinates Hvib = sum of SHOs.
Properties, e.g., transition probabilities require m = 3, 4 2
1j
mx
m nj
I d x e H x
for
Example 18.2.1. Threefold Hermite Formula
23
31
j
xn
j
I d x e H x
0 are integersjn
n
n nH x H x 3 0I oddj
j
n
deg nH x n for3 0I i j kn n n i,j,k = cyclic permuation of 1,2,3
Triangle condition
2 2
0
,!
nt t x
nn
tg x t e H x
n
23
31
,xj
j
Z d x e g x t
Consider
2
3 3 32 2
1 2 2 3 3 11 1 1
2 2j j jj j j
x t t t t t t t t x x t
23
2
1
exp 2xj j
j
d x e t t x
2
3
3 1 2 2 3 3 11
exp 2jj
Z d x x t t t t t t t
1 2 2 3 3 1exp 2 t t t t t t
1 2 2 3 3 10
2
!
NN
N
t t t t t tN
3 1 2
1 2 3
1 2 2 3 3 10 1 2 3
2 !
! ! ! !
Nn n n
N n n n N
Nt t t t t t
N n n n
3 1 1 22 3
1 2 3
1 2 30 1 2 3
2
! ! !
Nn n n nn n
N n n n N
t t tn n n
3 1 1 22 3
1 2 3
3 1 2 30 1 2 3
2
! ! !
Nn n n nn n
N n n n N
Z t t tn n n
2 2
0
,!
nt t x
nn
tg x t e H x
n
23
31
,xj
j
Z d x e g x t
1 2 3
2
1 2 3
1 2 3
1 2 33
, , 0 1 2 3! ! !
m m m
xm m m
m m m
t t tZ d x e H x H x H x
m m m
1 2 3
2 3 1
3 1 3
1 2 3
m n n
m n n
m n n
n n n N
23
31
j
xm
j
I d x e H x
1 2 3 /2 1 2 33
1 2 3
! ! !2
! ! !
m m m m m mI
N m N m N m
1 1
2 2
3 3
n N m
n N m
n N m
1 1
2 2
3 3
1 2 3 2
m N n
m N n
m N n
m m m N
1 2 3m m m even
Hermite Product Formula 2 2
0
,!
nt t x
nn
tg x t e H x
n
2 21 2 1 2 1 2, , exp 2g x t g x t t t t t x
1 2
1 2
1 2
1 2
, 0 1 2! !
m m
m mm m
t tH x H x
m m
1 22 2
1 2 1 2exp 2 t tt t t t x e 1 2 1 2
0 0
2
! !
n
nn
t t t tH x
n
1 2 1 2
0 0 0
2
! ! !
s n sn
nn s
t t t tH x
s n s
1 2
0 0 0
2
! ! !
s n sn
nn s
t tH x
s n s
1 21 2
2 1
1 2
min ,1 2
1 2 20 0 0 1 2
2, ,
!! !
m mm m
m mm m
t tg x t g x t H x
m m
1
2
m s
m n s
1
2 1 2
s m
n m m
Set
Range of set by q! q 0
1 21 2
2 1
1 2
min ,1 2
20 0 0 1 2
2
!! !
m mm m
m mm m
t tH x
m m
1 2
1 2
1 2
1 21 2
, 0 1 2
, ,! !
m m
m mm m
t tg x t g x t H x H x
m m
1 2
1 2 2 1
min ,1 2
20 1 2
! ! 2
!! !
m m
m m m m
m mH x H x H x
m m
1 2
1 2
2 1
min ,
20
2 !m m
m m
m mH x C C
i jH H
i jH H
Mathematica
Example 18.2.2.Fourfold Hermite Formula
24
41
j
xm
j
I d x e H x
1Integers 0j jm m j
1 2
1 2
1 2 2 1
min ,
20
2 !m m
m m
m m m mH x H x H x C C
2 4 2
1 2 3 4
2 1 4 32 20 0
2 ! 2 !m m
m m m m xm m m mC C C C d x e H x H x
2 41 2 3 4 4 3
2 1 4 3
2
2 , 2 4 30 0
2 ! 2 ! 2 2 !m m
m m m m m m
m m m mC C C C m m
2
2 !x nn m nmd x e H x H x n
2 1 4 32 2m m m m 4 3 2 1
1
2m m m m
4 3 4 3 2 1
12
2m m m m m m 2 :p
4 1min ,
4 3 1 2 3 4
40 4 3 1 2 3 4
2 2 ! ! ! ! !
! ! ! ! ! !
Mm M m m m m m m mI
M m m M m M m m m
Mathematica
M
Product Formula with Weight exp(a2 x2)
2 2 / 221
min , 2
20
2 11
2
1 2 1! !2
m nm na x
m n m n
m n
m nd x e H x H x a
a
m n am n a
Ref: Gradshteyn & Ryzhik, p.803