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A simple method for finding recurrence relations in
 physical theories: application to electromagnetic
                     scattering

                 Walter Somerville            Eric Le Ru

   The MacDiarmid Institute for Advanced Materials and Nanotechnology
               School of Chemical and Physical Sciences
                    Victoria University of Wellington


                              Oct 17, 2011




                     Walter Somerville   A simple method for finding recurrence relations
Electromagnetic scattering - overview




      Interest in Raman scattering
      Particularly in Surface Enhanced Raman Scattering (SERS)
      Requires knowledge of electric field near to the surface of
      metallic nanoparticles




                      Walter Somerville   A simple method for finding recurrence relations
Electromagnetic scattering - overview


                                                                                              λL =633nm
                                                                                              Δν =1620cm‐1




                                                                                                   log10(F/5)
                   0.8
Extinction [cm ]
-1




                   0.6


                   0.4

                                                                                       θ
                   0.2


                   0.0
                         500      600       700         800
                               Wavelength [nm]

                                            Walter Somerville   A simple method for finding recurrence relations
Electromagnetic scattering - different methods

      Discrete Dipole Approximation
      Finite Element methods
      Mie Theory
      T -matrix




                     Walter Somerville   A simple method for finding recurrence relations
T -matrix - overview



  Express fields as a sum of vector spherical harmonics:
                                         (1)                         (1)
          EInc (r) = E0         anm Mnm (kM , r) + bnm Nnm (kM , r).
                          n,m

  Relate incident and scattered field with the T -matrix,

                                    p              a
                                          =T
                                    q              b




                          Walter Somerville    A simple method for finding recurrence relations
T -matrix - history



          Introduced by Waterman in 19651
          Can be applied to multiple scatterers
          Can easily handle orientation averaging
  Used in
          Astrophysics
          Aerosols
          Acoustic scattering
          Plasmonics




     1
         Waterman, P. C. (1965) Proc. IEEE 53, 805–812
                            Walter Somerville   A simple method for finding recurrence relations
T-matrix - EBCM




  Introduced with T -matrix by Waterman

                            T = −RgQ Q−1

  Expressions are much simpler when particle has a symmetry of
  revolution




                      Walter Somerville   A simple method for finding recurrence relations
T -matrix - expressions


  We use the expressions2
                                      π
                        1
                       Knk =              dθ xθ mdn dk ξn ψk
                                  0
                                      π
                        2
                       Knk =              dθ xθ mdn dk ξn ψk
                                  0
                                      π
                        L1 =
                         nk               dθ sin θxθ τn dk ξn ψk
                                  0
                                      π
                        L2 =
                         nk               dθ sin θxθ dn τk ξn ψk
                                  0

  ξ, ψ ∼ spherical-Bessel functions, dn , dk spherical harmonics.


     2
      Somerville, W. R. C., Augui´, B., and Le Ru, E. C. Sep 2011 Opt. Lett.
                                 e
  36(17), 3482–3484
                          Walter Somerville     A simple method for finding recurrence relations
Suspect relations



  Owing to the relations between Bessel functions, we suspect there
  might be some between the integrals
                                               2n + 1
                  ψn−1 (z) + ψn+1 (z) =               ψn (z)
                                                 z
  There are also relations between the angular functions

            n cos θ dn (θ) − sin θ τn (θ) = n2 − m2 dn−1 (θ)




                       Walter Somerville   A simple method for finding recurrence relations
Question




     Do the integrals have relations, and if so, what are they?




                     Walter Somerville   A simple method for finding recurrence relations
Rank




  Rank of a matrix is the number           of linearly independent
  rows/columns.
                                              
                              1             2 3
                      rank  4             5 6  = 2
                              5             7 9

  A non-maximum rank indicates that there are some linear relations.




                       Walter Somerville      A simple method for finding recurrence relations
Rank – example

                                    fn (x)
                                          x
                          1              −→                5
                      1 1          1     1       1        1
                        1          2     3       4        5
                 n    ↓2           3     4       5        6
                                                            
                          3         5     7       9        11
                                                            
                      5   5         8    11       14       17




                     Walter Somerville   A simple method for finding recurrence relations
Rank – example

                                    fn (x)
                                          x
                          1              −→                5
                      1 1          1     1       1        1
                        1          2     3       4        5
                 n    ↓2           3     4       5        6
                                                            
                          3         5     7       9        11
                                                            
                      5   5         8    11       14       17




                       f0 (x) = 1
                       f1 (x) = x
                     fn+2 (x) = fn+1 (x) + fn (x)

                     Walter Somerville   A simple method for finding recurrence relations
Examining rank




     72 entries of of K1 , K2 , L1 , L2
     Rank of 14
     Some relations are easy




                       Walter Somerville   A simple method for finding recurrence relations
Easy relations




                 L1 − 3L2 = −7.348L1 + 7.071K21
                  31    31         11
                                             2




                      Walter Somerville   A simple method for finding recurrence relations
Easy relations




                              √       √ 2
                 L1 − 3L2 = −3 6L1 + 5 2K21
                  31    31       11




                    Walter Somerville   A simple method for finding recurrence relations
Easy relations




                              √       √ 2
                 L1 − 3L2 = −3 6L1 + 5 2K21
                  31    31       11
                              √       √ 1
                 L2 − 3L1 = −3 6L1 + 5 2K12
                  13    13       11




                    Walter Somerville   A simple method for finding recurrence relations
Dimensionality reduction

                  L1 , L2                                            K1 , K2
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
                                                                                                
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
  
     ·   +   ·   +   ·     +    ·     +        
                                                   +     ·     +    ·     +     ·     +     ·    
                                                                                                   
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +


           85 2     45         7 × 23                                                 17 2
    L1 −
     51      L = −s √ L1 − L2 + √                                          L1 +         L
           29 51   29 2
                        42  42
                               29 10
                                                                            31
                                                                                      23 31

  For spheroid only

                            Walter Somerville    A simple method for finding recurrence relations
Dimensionality reduction

                  L1 , L2                                            K1 , K2
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
                                                                                                
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
  
     ·   +   ·   +   ·     +    ·     +        
                                                   +     ·     +    ·     +     ·     +     ·    
                                                                                                   
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +


                 1
      L1 − 2L2 = √ L1 − (4 − 30s 2 )L2
       42    42     31               31
                s 5
                                       √
                  √      1     2          3
                + 15 2sK32 + K32 −          2K41 + K 2 41
                                              1
                                        s

                            Walter Somerville    A simple method for finding recurrence relations
Dimensionality reduction



                  L1 , L2                                            K1 , K2
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
                                                                                                
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
  
     ·   +   ·   +   ·     +    ·     +        
                                                   +     ·     +    ·     +     ·     +     ·    
                                                                                                   
  
     +   ·   +   ·   +     ·    +     ·        
                                                   ·     +     ·    +     ·     +     ·     +    
                                                                                                   
      ·   +   ·   +   ·     +    ·     +             +     ·     +    ·     +     ·     +     ·
                                                                                                
                                                                                                
      +   ·   +   ·   +     ·    +     ·             ·     +     ·    +     ·     +     ·     +




                            Walter Somerville    A simple method for finding recurrence relations
Example relation
  A relation between twelve elements:

  α (k + 1) L1         2           1         2
             n,k+1 − nLn,k+1 − β kLn,k−1 + nLn,k−1 =
   −n (1 + 2k) k 4 + 2k 3 +            1 − n2 s 2 − 1 k 2 +               1 − n2 s 2 − 2 k+
    n2 − 1 s 2      1
                   Kn,k
                                           2
  + [(1 + 2k) (n − 1) ks (n + 1) (k + 1)] Kn,k
                    1                              2
  + [ns (n + 1) α] Kn−1,k+1 + [(n + 1) (k + 1) α] Kn−1,k+1
                    1                         2
  + [ns (n + 1) β] Kn−1,k−1 + [−k (n + 1) β] Kn−1,k−1
  + [−s (n + 1) (1 + 2k) k (k + 1)] L1
                                     n−1,k
  + −s (n + 1) (1 + 2k) k 2 + k − n2 s 2 + s 2 n L2
                                                  n−1,k

  where

  α = k 2 (k 2 + s 2 − n2 s 2 − 1),       β = (k + 1)2 (k 2 + s 2 − n2 s 2 + 2k).

                          Walter Somerville   A simple method for finding recurrence relations
Current state/Future work




     We have found a relation between four types of integrals
     It’s not obvious how to fill the matrices using this information
     We aim to solve these problems, allowing much faster
     calculations of the T -matrix




                     Walter Somerville   A simple method for finding recurrence relations

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15.30 o11 m reid
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16.40 o10 d wiltshire
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14.40 o8 s wimbush
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14.20 o7 r davies
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Simple method for finding recurrence relations in electromagnetic scattering

  • 1. A simple method for finding recurrence relations in physical theories: application to electromagnetic scattering Walter Somerville Eric Le Ru The MacDiarmid Institute for Advanced Materials and Nanotechnology School of Chemical and Physical Sciences Victoria University of Wellington Oct 17, 2011 Walter Somerville A simple method for finding recurrence relations
  • 2. Electromagnetic scattering - overview Interest in Raman scattering Particularly in Surface Enhanced Raman Scattering (SERS) Requires knowledge of electric field near to the surface of metallic nanoparticles Walter Somerville A simple method for finding recurrence relations
  • 3. Electromagnetic scattering - overview λL =633nm Δν =1620cm‐1 log10(F/5) 0.8 Extinction [cm ] -1 0.6 0.4 θ 0.2 0.0 500 600 700 800 Wavelength [nm] Walter Somerville A simple method for finding recurrence relations
  • 4. Electromagnetic scattering - different methods Discrete Dipole Approximation Finite Element methods Mie Theory T -matrix Walter Somerville A simple method for finding recurrence relations
  • 5. T -matrix - overview Express fields as a sum of vector spherical harmonics: (1) (1) EInc (r) = E0 anm Mnm (kM , r) + bnm Nnm (kM , r). n,m Relate incident and scattered field with the T -matrix, p a =T q b Walter Somerville A simple method for finding recurrence relations
  • 6. T -matrix - history Introduced by Waterman in 19651 Can be applied to multiple scatterers Can easily handle orientation averaging Used in Astrophysics Aerosols Acoustic scattering Plasmonics 1 Waterman, P. C. (1965) Proc. IEEE 53, 805–812 Walter Somerville A simple method for finding recurrence relations
  • 7. T-matrix - EBCM Introduced with T -matrix by Waterman T = −RgQ Q−1 Expressions are much simpler when particle has a symmetry of revolution Walter Somerville A simple method for finding recurrence relations
  • 8. T -matrix - expressions We use the expressions2 π 1 Knk = dθ xθ mdn dk ξn ψk 0 π 2 Knk = dθ xθ mdn dk ξn ψk 0 π L1 = nk dθ sin θxθ τn dk ξn ψk 0 π L2 = nk dθ sin θxθ dn τk ξn ψk 0 ξ, ψ ∼ spherical-Bessel functions, dn , dk spherical harmonics. 2 Somerville, W. R. C., Augui´, B., and Le Ru, E. C. Sep 2011 Opt. Lett. e 36(17), 3482–3484 Walter Somerville A simple method for finding recurrence relations
  • 9. Suspect relations Owing to the relations between Bessel functions, we suspect there might be some between the integrals 2n + 1 ψn−1 (z) + ψn+1 (z) = ψn (z) z There are also relations between the angular functions n cos θ dn (θ) − sin θ τn (θ) = n2 − m2 dn−1 (θ) Walter Somerville A simple method for finding recurrence relations
  • 10. Question Do the integrals have relations, and if so, what are they? Walter Somerville A simple method for finding recurrence relations
  • 11. Rank Rank of a matrix is the number of linearly independent rows/columns.   1 2 3 rank  4 5 6  = 2 5 7 9 A non-maximum rank indicates that there are some linear relations. Walter Somerville A simple method for finding recurrence relations
  • 12. Rank – example fn (x) x 1 −→ 5 1 1 1 1 1 1 1 2 3 4 5 n ↓2 3 4 5 6   3 5 7 9 11   5 5 8 11 14 17 Walter Somerville A simple method for finding recurrence relations
  • 13. Rank – example fn (x) x 1 −→ 5 1 1 1 1 1 1 1 2 3 4 5 n ↓2 3 4 5 6   3 5 7 9 11   5 5 8 11 14 17 f0 (x) = 1 f1 (x) = x fn+2 (x) = fn+1 (x) + fn (x) Walter Somerville A simple method for finding recurrence relations
  • 14. Examining rank 72 entries of of K1 , K2 , L1 , L2 Rank of 14 Some relations are easy Walter Somerville A simple method for finding recurrence relations
  • 15. Easy relations L1 − 3L2 = −7.348L1 + 7.071K21 31 31 11 2 Walter Somerville A simple method for finding recurrence relations
  • 16. Easy relations √ √ 2 L1 − 3L2 = −3 6L1 + 5 2K21 31 31 11 Walter Somerville A simple method for finding recurrence relations
  • 17. Easy relations √ √ 2 L1 − 3L2 = −3 6L1 + 5 2K21 31 31 11 √ √ 1 L2 − 3L1 = −3 6L1 + 5 2K12 13 13 11 Walter Somerville A simple method for finding recurrence relations
  • 18. Dimensionality reduction L1 , L2 K1 , K2    + · + · + · + · · + · + · + · + · + · + · + · + + · + · + · + ·            + · + · + · + ·   · + · + · + · +     · + · + · + · +   + · + · + · + ·     + · + · + · + ·   · + · + · + · +   · + · + · + · + + · + · + · + ·       + · + · + · + · · + · + · + · + 85 2 45 7 × 23 17 2 L1 − 51 L = −s √ L1 − L2 + √ L1 + L 29 51 29 2 42 42 29 10 31 23 31 For spheroid only Walter Somerville A simple method for finding recurrence relations
  • 19. Dimensionality reduction L1 , L2 K1 , K2    + · + · + · + · · + · + · + · + · + · + · + · + + · + · + · + ·            + · + · + · + ·   · + · + · + · +     · + · + · + · +   + · + · + · + ·     + · + · + · + ·   · + · + · + · +   · + · + · + · + + · + · + · + ·       + · + · + · + · · + · + · + · + 1 L1 − 2L2 = √ L1 − (4 − 30s 2 )L2 42 42 31 31 s 5 √ √ 1 2 3 + 15 2sK32 + K32 − 2K41 + K 2 41 1 s Walter Somerville A simple method for finding recurrence relations
  • 20. Dimensionality reduction L1 , L2 K1 , K2    + · + · + · + · · + · + · + · + · + · + · + · + + · + · + · + ·            + · + · + · + ·   · + · + · + · +     · + · + · + · +   + · + · + · + ·     + · + · + · + ·   · + · + · + · +   · + · + · + · + + · + · + · + ·       + · + · + · + · · + · + · + · + Walter Somerville A simple method for finding recurrence relations
  • 21. Example relation A relation between twelve elements: α (k + 1) L1 2 1 2 n,k+1 − nLn,k+1 − β kLn,k−1 + nLn,k−1 = −n (1 + 2k) k 4 + 2k 3 + 1 − n2 s 2 − 1 k 2 + 1 − n2 s 2 − 2 k+ n2 − 1 s 2 1 Kn,k 2 + [(1 + 2k) (n − 1) ks (n + 1) (k + 1)] Kn,k 1 2 + [ns (n + 1) α] Kn−1,k+1 + [(n + 1) (k + 1) α] Kn−1,k+1 1 2 + [ns (n + 1) β] Kn−1,k−1 + [−k (n + 1) β] Kn−1,k−1 + [−s (n + 1) (1 + 2k) k (k + 1)] L1 n−1,k + −s (n + 1) (1 + 2k) k 2 + k − n2 s 2 + s 2 n L2 n−1,k where α = k 2 (k 2 + s 2 − n2 s 2 − 1), β = (k + 1)2 (k 2 + s 2 − n2 s 2 + 2k). Walter Somerville A simple method for finding recurrence relations
  • 22. Current state/Future work We have found a relation between four types of integrals It’s not obvious how to fill the matrices using this information We aim to solve these problems, allowing much faster calculations of the T -matrix Walter Somerville A simple method for finding recurrence relations