The Old Quantum Theory and Semiclassical Approximation

Michal Lenc
Semin TFA 6. prosince 2013

Centenary of the Old Quantum Theory

Bohr s quantization (1913)

Bohr s equations
Total energy = nonrelativistic kinetic energy + Coulomb potential energy

m 2 e2 E= v 2 r
On circular orbit the electrostatic force is balanced by centripetal force

e2 m v2 = r r2 From this several different expressions for energy follow

m v2 e2 E==2 2r Bohr quantization rule

1 m e4 =2 ( m v r )2

Lz = L = m v r = n h
Fine structure constant

m e4 1 En = 2 h 2 n2 m c2 a 2 En = 2 n2

v1 e 2 a= = c hc

1916: Enter Sommerfeld..

and Debye (1916) and Wilson (1915)

and Schwarzschild (1916)

and Epstein (1916)

Sommerfeld and Planck

Sommerfelds Ansatz

Sommerfelds basic equations

Relativistic equation

2 M e 2 4 c pr + 2 + m c = E + r r
2 2 2

Classical action variables

1 Jj = 2p

2p

M
0

dj

2 e2 E M2 2 Jr = + - ( m c ) - 2 dr 2p c r c r
r1

r2

In the action variables

ha 2 E = mc 1 + J + J 2 - h2 a 2 j r

12

-1 2

M z2 = M 2

Sommerfelds quantization
Quantization conditions

J r = nr h , Jj = nj h
lead to the final result (n=nr+n is the principal quantum number)

En , nj

a 2 = mc 1 + n + n2 - a 2 j

12 - nj

-1 2

with the expansion in powers of

2 Ry a Ry 3 n 2 = mc - 2 + 4 n n 4 nj

En , nj

Sommerfelds vs. Darwins splitting

Error in the quantization of the angular momentum (magnitude is quantized as a projection to the z axis) leads to the correct splitting

D E n , nj

m c2 a 4 3 n = 4 4 n n j

Darwins solution (C.G. Darwin: Proc. R. Soc. London A 118 (1928), 654 680) of the Dirac equation gives

D En , j

m c2 a 4 3 n = 4 n 4 j + 1 2

Thus for the example one has

2 P1 2 K j = 1 2K nr = 1 , nj = 1 2 P3 2 K j = 3 2K nr = 0 , nj = 2

Einstein (1917)

Standard quantization formula

New quantization formula

Canonical transformations
Point in phase space r r ( p,q) , r r p = ( p1 , p2 ,K , pn ) , q = ( q1 , q2 ,K , qn )

Canonical transformation is defined by

r r g: ( p,q)

r r P ,Q

d p d q = d P dQ
i =1 i i i =1 i

r r vortex lines of the form p d q - H dt r r dP K dp H =- r =- r dt dt q Q g: r r dq H dQ K = r = r dt p dt P r r r r K P ,Q ,t = H ( p , q ,t )

Liouvilles theorem on integrable systems

Given n functions in involution on a symplectic 2n dimensional manifold and a set F1 ,K , Fn

{F F } 0
i j

, M f = { x : Fi ( x ) = fi }

Poisson brackets

at each x M f d Fi are linearly independent

Then (Arnold: Mathematical methods of classical mechanics) Mf is a smooth manifold, invariant under the phase flow with hamiltonian function H = F1 If the manifold Mf is compact and connected, then it is diffeomorphic to the n dimensional torus T n = {(j1 ,K , j n ) mod 2 p } dji = wi ( f1 ,K , f n ) dt The canonical equations with hamiltonian function H can be integrated by quadratures The conditionally periodic motion is determined on Mf , i.e.

Action angle variables

Let 1,.,n is the basis of one dimensional cycles on torus

dj g
i

= 2p di j

The action variables are calculated as I i ( f ,K f n ) = Canonical equations 1 2p r r p dq

gi

r dI =0 dt r dj r = w ( I1 ,K , I n ) dt

w=

H r I

Semiclassical approximation
Substitution

y = A exp S h
into the Schrdinger equation gives after neglecting the highest order term in h r r S S H q , p = r ,t = q t P r + r (v P) = 0 t q with r H P = A2 , v = r p

If S or A (this is Keller s generalization of Brillouins result) are not single valued, one has (to keep the wave function single-valued ) D S = ( 2 p n + i D ln A ) h

Example: Central potential

If we exclude the Coulomb potential and the potential of an isotropic harmonic oscillator, we get a two valued momentum vector field

D S = ( 2 p n + i D ln A )

More then one set of functions S and A

Substitution is now

y = Ak ( q , t ) exp S k ( q , t )
k =1

i h

The quantum conditions are then r r r r D Sk = S d s = 2 p n + i D ln A h = 2 p n + i ln A d s h ( ) ( ) k k k

The introduction of M functions comes from the construction of M sheeted coordinate space, on each sheet grad(Sk) is a single valued function, the two sheets are connected in the points, at which gradients of phase coincide. At caustic points the amplitude goes to infinity, and if the number of momenta changing sign is m, the phase of amplitude is retarded, so that
D ln ( A) = - i m

p
2

(If two values of A differs just in sign, then m=2).

Semiclassical quantization conditions

n pi dqi i =1 gk

= 2p

h n k

mk + 4

Example
H= 1 2 2 2 2 2 2 px + p y + wx x + wy y ) + l x ( y 2 +h x 2 ) ( 2

1 1 2 p n1 + p d x + p d y 2 p n + px d x + p y d y ) ( ) ( x y 2 2 2 C1 C2

D.W. Noid and R.A. Marcus: Journal of Chemical Physics 62 (1975), 2119

Time independent Van Vlecks determinant

Hamilton Jacobi equation r 2 1 r h2 D F S - e A + e =E 2m 2m F

Solution

S = S ( x , y , z , c1 , c2 , E ) r r r 2 F S - e A = 0

Continuity equation

Solution S S f , c 1 c2
2 2 S S - e Ax - - e Ay 2 m ( E - eU ) - x y 12

F ( x , y , z , c1 , c2 ) =

2 S x c1 2 S y c1

2 S x c2 2 S y c2

12

Vbr z literatury
N. Bohr: On the Constitution of Atoms and Molecules, Philosophical Magazine 26 (1913), 1 25, 476 502, 857 - 875 W. Wilson: Quantum Theory of Radiation and Line Spectra, Philosophical Magazine 29 (1915), 795 802 A. Sommerfeld: Zur Quantentheorie der Spectrallinien, Annalen der Physik 51 (1916), 1 94, 125 167 P. Debye: Die Feinstruktur wasserstoffhnlicher Spektren, Nachrichten von der Gesellschaft der Wissenschaften zu Gttingen (1916), 161 171 K. Schwarzschild: Zur Quantumhypothese, Sitzungsberichte der Kniglich Preussische Akademie der Wissenschaften (1916), 548 568 P. Epstein: Zur Theorie des Starkeffekt, Annalen der Physik 50 (1916), 489 520 A. Einstein: Zum Quantensatz von Sommerfeld und Epstein, Verhandlungen der Deutschen Physikalischen Gesellschaft 19 (1917), 82 92 M.L. Brillouin: Remarques sur Mcanique Ondulatorie, Le Journal de Physique 7 (1926), 353 363 J.B. Keller: Corrected Bohr Sommerfeld Quantum Conditions for Nonseparable Systems. Annals of Physics 4 (1958), 180 - 188