C *************************** 786 ************************************* C Ref. "RESONANT THERANOSTICS: A New Nano-Biotechnological Method for Cancer Treatment Using X-ray Spectroscopy of Nanoparticles", S.N. Nahar, A.K. Pradhan, M. Montenegro, Chap 9 in "Simulations in Nanobiotechnology", CRC Press - Taylor \& Francis group, p.305-330 (2011) Note: K-beta and K-gamma values, which are much weaker than K-alpha transitions, have changed as a revised calculations included a few more important configurations. Code: SUPERSTRUCTURE (SS) ************************************************************************ Energy and transition data for K-shell transitions: Br II : Oscillator strengths f, line strength S, A-values, photoionization ross sections CS, Absorption coefficient AbsCf, for allowed fine structure transitions from K-shell Process: Br II + h\nu <-> Br II* File contents : -------------- i) Table of parameters for K-shell transitions ii) Table of Absorption Coefficients per gram **************************************************************************** i) Table of parameters for K-shell transitions --------------------------------------------- Z=35, AMU= 79.90 NZ Ne SLpCi SLpCj gi gj wl(A) E(Kev) Ei(Ry) Ej(Ry) fij S Aji(s-1) CS(Mb) ------------------------------------------------------------------------------- K-alpha (1s-2p) Ci 11 = 1s2 2s2 2p5 3s2 3p6 3d10 4s2 4p5 Cj 13 = 1s1 2s2 2p6 3s2 3p6 3d10 4s2 4p5 ------------------------------------------------------------------------------- 35 34 3Se11 3Po13 3 5 1.03 11.991 116.99 998.69 1.68E-02 1.71E-04 6.28E+13 1.35E-01 35 34 3De11 3Po13 7 5 1.03 11.991 116.99 998.69 1.04E-01 2.48E-03 9.10E+14 8.39E-01 35 34 3Pe11 3Po13 5 5 1.03 11.991 117.02 998.69 4.76E-02 8.10E-04 2.97E+14 3.84E-01 35 34 3De11 3Po13 3 5 1.04 11.945 120.52 998.69 8.71E-02 8.93E-04 3.24E+14 7.02E-01 35 34 3De11 3Po13 5 5 1.04 11.945 120.52 998.69 5.20E-02 8.88E-04 3.22E+14 4.19E-01 35 34 3Pe11 3Po13 3 5 1.04 11.945 120.53 998.69 1.73E-07 1.77E-09 6.42E+08 1.39E-06 35 34 1Pe11 1Po13 3 3 1.03 11.991 117.04 998.70 7.58E-03 7.73E-05 4.73E+13 6.11E-02 35 34 1De11 1Po13 5 3 1.03 11.991 117.04 998.70 8.05E-05 1.37E-06 8.38E+11 6.49E-04 35 34 1Se11 1Po13 1 3 1.03 11.991 117.05 998.70 9.86E-02 3.36E-04 2.05E+14 7.96E-01 35 34 3Se11 3Po13 3 1 1.03 11.991 116.99 998.72 1.62E-03 1.66E-05 3.04E+13 1.31E-02 35 34 3De11 3Po13 3 1 1.04 11.945 120.52 998.72 2.63E-07 2.70E-09 4.89E+09 2.12E-06 35 34 3Pe11 3Po13 3 1 1.04 11.945 120.53 998.72 3.48E-02 3.56E-04 6.46E+14 2.80E-01 35 34 3Se11 3Po13 3 3 1.03 12.002 116.99 998.73 9.34E-03 9.54E-05 5.84E+13 7.54E-02 35 34 3Pe11 3Po13 5 3 1.03 11.991 117.02 998.73 1.62E-03 2.76E-05 1.69E+13 1.31E-02 35 34 3De11 3Po13 3 3 1.04 11.945 120.52 998.73 9.11E-04 9.34E-06 5.65E+12 7.35E-03 35 34 3De11 3Po13 5 3 1.04 11.945 120.52 998.73 3.07E-03 5.24E-05 3.17E+13 2.48E-02 35 34 3Pe11 3Po13 3 3 1.04 11.945 120.53 998.73 6.57E-02 6.73E-04 4.07E+14 5.30E-01 35 34 3Pe11 3Po13 1 3 1.04 11.945 120.57 998.73 9.89E-02 3.38E-04 2.04E+14 7.98E-01 35 34 1Pe11 3Po13 3 5 1.03 11.991 117.04 998.69 4.36E-04 4.45E-06 1.63E+12 3.51E-03 35 34 1De11 3Po13 5 5 1.03 11.991 117.04 998.69 4.60E-03 7.83E-05 2.87E+13 3.71E-02 35 34 3Se11 1Po13 3 3 1.03 11.991 116.99 998.70 7.63E-02 7.79E-04 4.77E+14 6.16E-01 35 34 3Pe11 1Po13 5 3 1.03 11.991 117.02 998.70 5.48E-02 9.33E-04 5.70E+14 4.42E-01 35 34 3De11 1Po13 3 3 1.04 11.945 120.52 998.70 1.63E-02 1.67E-04 1.01E+14 1.32E-01 35 34 3De11 1Po13 5 3 1.04 11.945 120.52 998.70 4.93E-02 8.42E-04 5.09E+14 3.98E-01 35 34 3Pe11 1Po13 3 3 1.04 11.945 120.53 998.70 3.87E-03 3.97E-05 2.40E+13 3.12E-02 35 34 3Pe11 1Po13 1 3 1.04 11.945 120.57 998.70 5.45E-03 1.86E-05 1.13E+13 4.40E-02 35 34 1Pe11 3Po13 3 1 1.03 11.991 117.04 998.72 6.77E-02 6.92E-04 1.27E+15 5.46E-01 35 34 1Pe11 3Po13 3 3 1.03 11.991 117.04 998.73 2.83E-02 2.89E-04 1.77E+14 2.28E-01 35 34 1De11 3Po13 5 3 1.03 11.991 117.04 998.73 9.94E-02 1.69E-03 1.03E+15 8.01E-01 35 34 1Se11 3Po13 1 3 1.03 11.991 117.05 998.73 5.43E-03 1.85E-05 1.13E+13 4.38E-02 LS 11.974 118.60 998.70 7.06E-01 7.22E-03 1.46E+15 5.70E+00 Tot:No of trans= 30 Ekev= 11.974 f,CS,Absrp cf= 1.04E+00 8.40E+00 6.33E+04 ------------------------------------------------------------------------------ K-beta (1s-3p) Ci 9 = 1s2 2s2 2p6 3s2 3p5 3d10 4s2 4p5 Cj 13 = 1s1 2s2 2p6 3s2 3p6 3d10 4s2 4p5 ------------------------------------------------------------------------------ 35 34 3De 9 3Po13 7 5 0.93 13.404 14.02 998.69 9.46E-03 2.02E-04 1.03E+14 7.63E-02 35 34 3Pe 9 3Po13 5 5 0.93 13.404 14.06 998.69 3.14E-03 4.79E-05 2.45E+13 2.54E-02 35 34 3Se 9 3Po13 3 5 0.93 13.389 14.09 998.69 1.64E-04 1.50E-06 7.65E+11 1.32E-03 35 34 3De 9 3Po13 5 5 0.93 13.389 14.10 998.69 2.02E-03 3.08E-05 1.58E+13 1.63E-02 35 34 3De 9 3Po13 3 5 0.93 13.389 14.52 998.69 7.55E-04 6.91E-06 3.53E+12 6.09E-03 35 34 3Pe 9 3Po13 3 5 0.93 13.389 14.52 998.69 6.84E-03 6.25E-05 3.19E+13 5.51E-02 35 34 1Pe 9 1Po13 3 3 0.93 13.404 14.01 998.70 5.89E-03 5.38E-05 4.58E+13 4.75E-02 35 34 1Se 9 1Po13 1 3 0.93 13.389 14.14 998.70 9.37E-03 2.86E-05 2.43E+13 7.56E-02 35 34 1De 9 1Po13 5 3 0.93 13.389 14.53 998.70 4.25E-03 6.47E-05 5.51E+13 3.43E-02 35 34 3Se 9 3Po13 3 1 0.93 13.404 14.09 998.72 5.60E-03 5.12E-05 1.31E+14 4.52E-02 35 34 3De 9 3Po13 3 1 0.93 13.389 14.52 998.72 2.56E-03 2.34E-05 5.98E+13 2.06E-02 35 34 3Pe 9 3Po13 3 1 0.93 13.389 14.52 998.72 3.14E-04 2.87E-06 7.33E+12 2.53E-03 35 34 3Pe 9 3Po13 5 3 0.93 13.404 14.06 998.73 1.63E-03 2.48E-05 2.12E+13 1.32E-02 35 34 3Se 9 3Po13 3 3 0.93 13.404 14.09 998.73 1.76E-03 1.61E-05 1.37E+13 1.42E-02 35 34 3De 9 3Po13 5 3 0.93 13.404 14.10 998.73 7.24E-03 1.10E-04 9.39E+13 5.84E-02 35 34 3De 9 3Po13 3 3 0.93 13.389 14.52 998.73 4.43E-03 4.05E-05 3.45E+13 3.58E-02 35 34 3Pe 9 3Po13 3 3 0.93 13.389 14.52 998.73 9.95E-04 9.09E-06 7.74E+12 8.02E-03 35 34 3Pe 9 3Po13 1 3 0.93 13.389 14.62 998.73 8.69E-03 2.65E-05 2.25E+13 7.00E-02 35 34 1Pe 9 3Po13 3 5 0.93 13.404 14.01 998.69 1.06E-03 9.73E-06 4.97E+12 8.58E-03 35 34 1De 9 3Po13 5 5 0.93 13.389 14.53 998.69 3.90E-03 5.94E-05 3.03E+13 3.14E-02 35 34 3Pe 9 1Po13 5 3 0.93 13.404 14.06 998.70 4.66E-03 7.10E-05 6.05E+13 3.76E-02 35 34 3Se 9 1Po13 3 3 0.93 13.389 14.09 998.70 1.93E-03 1.76E-05 1.50E+13 1.55E-02 35 34 3De 9 1Po13 5 3 0.93 13.389 14.10 998.70 1.77E-04 2.70E-06 2.30E+12 1.43E-03 35 34 3De 9 1Po13 3 3 0.93 13.389 14.52 998.70 9.45E-04 8.65E-06 7.36E+12 7.62E-03 35 34 3Pe 9 1Po13 3 3 0.93 13.389 14.52 998.70 5.51E-04 5.04E-06 4.29E+12 4.44E-03 35 34 3Pe 9 1Po13 1 3 0.93 13.389 14.62 998.70 4.98E-05 1.52E-07 1.29E+11 4.01E-04 35 34 1Pe 9 3Po13 3 1 0.93 13.404 14.01 998.72 7.23E-04 6.61E-06 1.69E+13 5.83E-03 35 34 1Pe 9 3Po13 3 3 0.93 13.404 14.01 998.73 1.78E-03 1.63E-05 1.39E+13 1.44E-02 35 34 1Se 9 3Po13 1 3 0.93 13.389 14.14 998.73 7.89E-05 2.40E-07 2.05E+11 6.36E-04 35 34 1De 9 3Po13 5 3 0.93 13.389 14.53 998.73 5.54E-04 8.44E-06 7.18E+12 4.47E-03 LS 13.394 14.24 998.70 1.76E-02 8.03E-04 2.28E+14 1.42E-01 Tot:No of trans= 30 Ekev= 13.394 f,CS,Absrp cf= 9.15E-02 7.38E-01 5.56E+03 ------------------------------------------------------------------------------ K-gamma (1s-4p) Ci 1 = 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p4 Cj 13 = 1s1 2s2 2p6 3s2 3p6 3d10 4s2 4p5 ------------------------------------------------------------------------------- 35 34 3Pe 1 3Po13 5 5 0.91 13.595 0.00 998.69 5.83E-05 8.75E-07 4.67E+11 4.70E-04 35 34 3Pe 1 3Po13 3 5 0.91 13.587 0.03 998.69 2.18E-05 1.96E-07 1.05E+11 1.75E-04 35 34 1De 1 1Po13 5 3 0.91 13.586 0.11 998.70 2.43E-05 3.66E-07 3.25E+11 1.96E-04 35 34 1Se 1 1Po13 1 3 0.91 13.585 0.25 998.70 1.42E-04 4.26E-07 3.78E+11 1.14E-03 35 34 3Pe 1 3Po13 3 1 0.91 13.588 0.03 998.72 3.02E-05 2.72E-07 7.25E+11 2.43E-04 35 34 3Pe 1 3Po13 5 3 0.91 13.595 0.00 998.73 4.62E-06 6.94E-08 6.17E+10 3.73E-05 35 34 3Pe 1 3Po13 3 3 0.91 13.588 0.03 998.73 1.08E-05 9.73E-08 8.65E+10 8.70E-05 35 34 3Pe 1 3Po13 1 3 0.91 13.588 0.03 998.73 7.47E-06 2.25E-08 2.00E+10 6.03E-05 35 34 1De 1 3Po13 5 5 0.91 13.580 0.11 998.69 4.53E-09 6.80E-11 3.63E+07 3.65E-08 35 34 3Pe 1 1Po13 5 3 0.91 13.595 0.00 998.70 2.32E-05 3.48E-07 3.10E+11 1.87E-04 35 34 3Pe 1 1Po13 3 3 0.91 13.595 0.03 998.70 8.64E-06 7.78E-08 6.92E+10 6.96E-05 35 34 3Pe 1 1Po13 1 3 0.91 13.595 0.03 998.70 6.92E-05 2.08E-07 1.85E+11 5.58E-04 35 34 1De 1 3Po13 5 3 0.91 13.580 0.11 998.73 5.42E-05 8.14E-07 7.24E+11 4.37E-04 35 34 1Se 1 3Po13 1 3 0.91 13.580 0.25 998.73 1.86E-04 5.58E-07 4.96E+11 1.50E-03 LS 13.588 0.04 998.71 8.60E-05 2.32E-06 6.89E+11 6.93E-04 Tot:No of trans= 14 Ekev= 13.588 f,CS,Absrp cf= 6.40E-04 5.16E-03 3.89E+01 ------------------------------------------------------------------------------ **************************************************************************** ii) Table of Absorption Coefficients per gram --------------------------------------------- Table Explanation: The following table list absorption coefficients (AC) of all resonances by the K-shell transitions, 1s-2p, 1s-30, 1s-4p, listed above. Due to fine structure splittings, the transitions have overlapping energy positions. They have been sorted in energy order and later summed to get the total strength. Table sorted by energies. ----------------------- Number of Abs Cf= 74 : Sorted by energies E(kev) AC(Mb/gm) 1.1944E+01 5.29380E+03 1.1944E+01 3.15860E+03 1.1944E+01 1.04960E-02 1.1944E+01 1.59860E-02 1.1944E+01 2.11320E+03 1.1944E+01 5.53960E+01 1.1944E+01 1.86620E+02 1.1944E+01 3.99140E+03 1.1944E+01 6.01130E+03 1.1944E+01 9.92010E+02 1.1944E+01 2.99610E+03 1.1944E+01 2.35500E+02 1.1944E+01 3.31500E+02 1.1991E+01 1.01820E+03 1.1991E+01 6.32360E+03 1.1991E+01 2.89510E+03 1.1991E+01 4.60460E+02 1.1991E+01 4.89300E+00 1.1991E+01 5.99580E+03 1.1991E+01 9.87290E+01 1.1991E+01 9.86420E+01 1.1991E+01 2.64790E+01 1.1991E+01 2.79590E+02 1.1991E+01 4.63910E+03 1.1991E+01 3.33150E+03 1.1991E+01 4.11760E+03 1.1991E+01 1.72000E+03 1.1991E+01 6.03920E+03 1.1991E+01 3.30290E+02 1.2002E+01 5.67930E+02 1.3389E+01 9.94710E+00 1.3389E+01 1.22940E+02 1.3389E+01 4.59120E+01 1.3389E+01 4.15500E+02 1.3389E+01 5.69560E+02 1.3389E+01 2.58190E+02 1.3389E+01 1.55590E+02 1.3389E+01 1.90800E+01 1.3389E+01 2.69510E+02 1.3389E+01 6.04490E+01 1.3389E+01 5.27880E+02 1.3389E+01 2.36800E+02 1.3389E+01 1.17080E+02 1.3389E+01 1.07810E+01 1.3389E+01 5.74600E+01 1.3389E+01 3.34840E+01 1.3389E+01 3.02400E+00 1.3389E+01 4.79360E+00 1.3389E+01 3.36740E+01 1.3404E+01 5.74760E+02 1.3404E+01 1.91070E+02 1.3404E+01 3.57750E+02 1.3404E+01 3.40310E+02 1.3404E+01 9.91340E+01 1.3404E+01 1.06850E+02 1.3404E+01 4.39890E+02 1.3404E+01 6.46860E+01 1.3404E+01 2.83280E+02 1.3404E+01 4.39620E+01 1.3404E+01 1.08240E+02 1.3580E+01 1.47980E+00 1.3580E+01 8.61680E+00 1.3580E+01 2.75330E-04 1.3580E+01 3.29460E+00 1.3580E+01 1.12920E+01 1.3595E+01 3.54080E+00 1.3595E+01 1.32270E+00 1.3595E+01 1.83320E+00 1.3595E+01 2.80850E-01 1.3595E+01 6.55950E-01 1.3595E+01 4.54300E-01 1.3595E+01 1.40890E+00 1.3595E+01 5.24960E-01 1.3595E+01 4.20640E+00 Number of Abs Cf= 7 : Sorted by energies & Abs Cf summed at res energy E(Mev) AC(Mb/mol) 1.1945E-02 2.53655E+04 1.1991E-02 3.73792E+04 1.2002E-02 5.67930E+02 1.3389E-02 2.95165E+03 1.3404E-02 2.60993E+03 1.3580E-02 2.46835E+01 1.3595E-02 1.42281E+01 ------------------------------------------------------------------------------