--------------------------- 786 ------------------------------------------- Ref. "Photoionization cross sections and oscillator strengths for oxygen ions: O I - O VIII", Sultana N. Nahar, Phys. Rev. A 58, 3766 (1998) -------------------------------------------------------------------------- O VI : Calculated LS term energies (n-max=10, l-max=9) File contents ------------- i) Table of target/core states in the wavefunction expansion ii) Table of bound (negative) state energies (with spectroscopic notation) iii) Table of complete set (both negative and positive) of energies -------------------------------------------------------------------------- i) Table of target/core states in the wavefunction expansion ------------------------------------------------------------ Z = 8, no of target/core electrons= 2 no of target/core states in WF = 11 target states and energies: 1 1s2 1S 0.00000E+00 2 1s.2s 3S 4.12316E+01 3 1s.2p 3Po 4.17905E+01 4 1s.2s 1S 4.18124E+01 5 1s.2p 1Po 4.21844E+01 6 1s.3s 3S 4.86509E+01 7 1s.3s 1S 4.88045E+01 8 1s.3p 3Po 4.88045E+01 9 1s.3d 3D 4.89218E+01 10 1s.3d 1D 4.89218E+01 11 1s.3p 1Po 4.89218E+01 --------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) -------------------------------------------------------------------------- Ion ground state = 20000202.0000, Eo(Ry) = -1.0142E+01 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 51 SPECTROSCOPIC ENERGY TABLE: i) Table lists only the bound states below the ionization threshold However, results include both the negative and positive energies ii) Each LS-term is preceded by an alphabetic character to represent the seniority of the state. The states of an even parity symmetry have an ascending order and of an odd parity symmetry have a descending order of alphabets. The alphabetic order starts with lower case and continues in to upper case. iii) The states with an valence electron represented by "0s" is an equivalent electron state for which the core configuration is to be corrected manually. State E(Ry) 1s2 (1S ) 2s a2S -10.14220 1s2 (1S ) 3s b2S -4.31841 1s2 (1S ) 4s c2S -2.37980 1s2 (1S ) 5s d2S -1.50539 1s2 (1S ) 6s e2S -1.03756 1s2 (1S ) 7s f2S -0.75823 1s2 (1S ) 8s g2S -0.57822 1s2 (1S ) 9s h2S -0.45545 1s2 (1S )10s i2S -0.36801 1s2 (1S ) 2p z2Po -9.26421 1s2 (1S ) 3p y2Po -4.08106 1s2 (1S ) 4p x2Po -2.28300 1s2 (1S ) 5p w2Po -1.45672 1s2 (1S ) 6p v2Po -1.00975 1s2 (1S ) 7p u2Po -0.74085 1s2 (1S ) 8p t2Po -0.56662 1s2 (1S ) 9p s2Po -0.44733 1s2 (1S )10p r2Po -0.36210 1s2 (1S ) 3d a2D -4.00662 1s2 (1S ) 4d b2D -2.25170 1s2 (1S ) 5d c2D -1.44084 1s2 (1S ) 6d d2D -1.00057 1s2 (1S ) 7d e2D -0.73507 1s2 (1S ) 8d f2D -0.56275 1s2 (1S ) 9d g2D -0.44462 1s2 (1S )10d h2D -0.36013 1s2 (1S ) 4f z2Fo -2.25011 1s2 (1S ) 5f y2Fo -1.44007 1s2 (1S ) 6f x2Fo -1.00005 1s2 (1S ) 7f w2Fo -0.73472 1s2 (1S ) 8f v2Fo -0.56252 1s2 (1S ) 9f u2Fo -0.44446 1s2 (1S )10f t2Fo -0.36001 1s2 (1S ) 5g a2G -1.44000 1s2 (1S ) 6g b2G -1.00000 1s2 (1S ) 7g c2G -0.73470 1s2 (1S ) 8g d2G -0.56249 1s2 (1S ) 9g e2G -0.44444 1s2 (1S ) 6h z2Ho -1.00000 1s2 (1S ) 7h y2Ho -0.73470 1s2 (1S ) 8h x2Ho -0.56251 1s2 (1S ) 9h w2Ho -0.44445 1s2 (1S )10h v2Ho -0.36000 1s2 (1S ) 7i a2I -0.73469 1s2 (1S ) 8i b2I -0.56250 1s2 (1S ) 9i c2I -0.44444 1s2 (1S ) 8k z2Ko -0.56250 1s2 (1S ) 9k y2Ko -0.44445 1s2 (1S )10k x2Ko -0.36000 1s2 (1S ) 9l a2L -0.44444 1s2 (1S )10m z2Mo -0.36000 --------------------------------------------------------------------------- iii) Table of complete set (both negative and positive) of energies ------------------------------------------------------------------- In conveninent numerical format for various applications Table explanation: Line 1: Z nelc typ -> Nuclear charge, number of core electrons, E=energy file This line is followed by sets of energies belonging to various SLpi symmetries. Each SLpi has the follwoing lines. Line : (2S+1) L pi(=0 for even, =1 for odd parities) Ne (number of states) Line : Core state for the symmetry (see target table), ac (ignore it) Lines - Ne number of lines: Index, T(valence electron state)/C(equivalent electron state), Core state number, n, l, energy (Ry) Ex: 1 T 1 3 0 -3.33037E-01 -> energy 1, Valence electron state, first core state (that is the ground state), n=3, l=0 (=s), energy in Ry ------------------------------------------------------ 8 2 E 2 0 0 9 1 0.000000E+00 1 T 1 2 0 -1.01422E+01 2 T 1 3 0 -4.31841E+00 3 T 1 4 0 -2.37980E+00 4 T 1 5 0 -1.50539E+00 5 T 1 6 0 -1.03756E+00 6 T 1 7 0 -7.58235E-01 7 T 1 8 0 -5.78217E-01 8 T 1 9 0 -4.55454E-01 9 T 1 10 0 -3.68010E-01 2 1 0 13 3 4.179052E+01 1 T 3 2 1 3.19991E+01 2 T 3 3 1 3.73905E+01 3 T 5 3 1 3.78833E+01 4 T 3 4 1 3.94244E+01 5 T 5 4 1 3.98314E+01 6 T 3 5 1 4.02952E+01 7 T 5 5 1 4.06887E+01 8 T 3 6 1 4.07616E+01 9 T 3 7 1 4.10356E+01 10 T 5 6 1 4.11535E+01 11 T 3 8 1 4.12155E+01 12 T 3 9 1 4.13367E+01 13 T 3 10 1 4.14220E+01 2 1 1 9 1 0.000000E+00 1 T 1 2 1 -9.26421E+00 2 T 1 3 1 -4.08106E+00 3 T 1 4 1 -2.28300E+00 4 T 1 5 1 -1.45672E+00 5 T 1 6 1 -1.00975E+00 6 T 1 7 1 -7.40846E-01 7 T 1 8 1 -5.66617E-01 8 T 1 9 1 -4.47332E-01 9 T 1 10 1 -3.62102E-01 2 2 0 8 1 0.000000E+00 1 T 1 3 2 -4.00662E+00 2 T 1 4 2 -2.25170E+00 3 T 1 5 2 -1.44084E+00 4 T 1 6 2 -1.00057E+00 5 T 1 7 2 -7.35066E-01 6 T 1 8 2 -5.62749E-01 7 T 1 9 2 -4.44619E-01 8 T 1 10 2 -3.60127E-01 2 2 1 12 3 4.179052E+01 1 T 3 3 2 3.75584E+01 2 T 5 3 2 3.80160E+01 3 T 3 4 2 3.94807E+01 4 T 5 4 2 3.98922E+01 5 T 3 5 2 4.03219E+01 6 T 5 5 2 4.07228E+01 7 T 3 6 2 4.07750E+01 8 T 3 7 2 4.10457E+01 9 T 5 6 2 4.11723E+01 10 T 3 8 2 4.12215E+01 11 T 3 9 2 4.13414E+01 12 T 3 10 2 4.14270E+01 2 3 0 10 3 4.179052E+01 1 T 3 4 3 3.95196E+01 2 T 5 4 3 3.99132E+01 3 T 3 5 3 4.03399E+01 4 T 5 5 3 4.07338E+01 5 T 3 6 3 4.07846E+01 6 T 3 7 3 4.10521E+01 7 T 5 6 3 4.11785E+01 8 T 3 8 3 4.12255E+01 9 T 3 9 3 4.13443E+01 10 T 3 10 3 4.14292E+01 2 3 1 7 1 0.000000E+00 1 T 1 4 3 -2.25011E+00 2 T 1 5 3 -1.44007E+00 3 T 1 6 3 -1.00005E+00 4 T 1 7 3 -7.34723E-01 5 T 1 8 3 -5.62518E-01 6 T 1 9 3 -4.44457E-01 7 T 1 10 3 -3.60010E-01 2 4 0 5 1 0.000000E+00 1 T 1 5 4 -1.44000E+00 2 T 1 6 4 -9.99998E-01 3 T 1 7 4 -7.34697E-01 4 T 1 8 4 -5.62495E-01 5 T 1 9 4 -4.44437E-01 2 4 1 8 3 4.179052E+01 1 T 3 5 4 4.03458E+01 2 T 5 5 4 4.07394E+01 3 T 3 6 4 4.07880E+01 4 T 3 7 4 4.10542E+01 5 T 5 6 4 4.11818E+01 6 T 3 8 4 4.12269E+01 7 T 3 9 4 4.13453E+01 8 T 3 10 4 4.14300E+01 2 5 0 6 3 4.179052E+01 1 T 3 6 5 4.07893E+01 2 T 3 7 5 4.10550E+01 3 T 5 6 5 4.11830E+01 4 T 3 8 5 4.12275E+01 5 T 3 9 5 4.13457E+01 6 T 3 10 5 4.14302E+01 2 5 1 5 1 0.000000E+00 1 T 1 6 5 -1.00000E+00 2 T 1 7 5 -7.34705E-01 3 T 1 8 5 -5.62509E-01 4 T 1 9 5 -4.44450E-01 5 T 1 10 5 -3.60003E-01 2 6 0 3 1 0.000000E+00 1 T 1 7 6 -7.34692E-01 2 T 1 8 6 -5.62500E-01 3 T 1 9 6 -4.44443E-01 2 6 1 4 3 4.179052E+01 1 T 3 7 6 4.10556E+01 2 T 3 8 6 4.12278E+01 3 T 3 9 6 4.13459E+01 4 T 3 10 6 4.14304E+01 2 7 0 3 3 4.179052E+01 1 T 3 8 7 4.12280E+01 2 T 3 9 7 4.13460E+01 3 T 3 10 7 4.14306E+01 2 7 1 3 1 0.000000E+00 1 T 1 8 7 -5.62501E-01 2 T 1 9 7 -4.44446E-01 3 T 1 10 7 -3.60001E-01 2 8 0 1 1 0.000000E+00 1 T 1 9 8 -4.44444E-01 2 8 1 2 3 4.179052E+01 1 T 3 9 8 4.13461E+01 2 T 3 10 8 4.14305E+01 2 9 0 1 3 4.179052E+01 1 T 3 10 9 4.14304E+01 2 9 1 1 1 0.000000E+00 1 T 1 10 9 -3.60000E-01 4 0 0 12 2 4.123156E+01 1 T 2 2 0 3.65141E+01 2 T 2 3 0 3.74556E+01 3 T 2 4 0 3.87373E+01 4 T 3 4 1 3.94285E+01 5 T 2 5 0 3.96800E+01 6 T 2 6 0 4.01578E+01 7 T 3 5 1 4.02987E+01 8 T 2 7 0 4.04574E+01 9 T 2 8 0 4.06402E+01 10 T 3 6 1 4.07511E+01 11 T 2 9 0 4.07751E+01 12 T 2 10 0 4.08581E+01 4 1 0 9 3 4.179052E+01 1 T 3 2 1 3.14675E+01 2 T 3 3 1 3.74923E+01 3 T 3 4 1 3.94428E+01 4 T 3 5 1 4.03005E+01 5 T 3 6 1 4.07614E+01 6 T 3 7 1 4.10374E+01 7 T 3 8 1 4.12157E+01 8 T 3 9 1 4.13374E+01 9 T 3 10 1 4.14242E+01 4 1 1 17 2 4.123156E+01 1 T 2 2 1 3.05035E+01 2 T 2 3 1 3.68059E+01 3 T 3 3 0 3.71954E+01 4 T 3 3 2 3.77072E+01 5 T 2 4 1 3.88450E+01 6 T 3 4 0 3.93336E+01 7 T 3 4 2 3.95212E+01 8 T 2 5 1 3.97288E+01 9 T 2 6 1 4.01898E+01 10 T 3 5 0 4.02479E+01 11 T 3 5 2 4.03411E+01 12 T 2 7 1 4.04745E+01 13 T 2 8 1 4.06528E+01 14 T 3 6 0 4.07310E+01 15 T 2 9 1 4.07720E+01 16 T 3 6 2 4.07881E+01 17 T 2 10 1 4.08639E+01 4 2 0 15 2 4.123156E+01 1 T 2 3 2 3.69845E+01 2 T 3 3 1 3.73713E+01 3 T 2 4 2 3.89177E+01 4 T 3 4 1 3.94035E+01 5 T 3 4 3 3.95555E+01 6 T 2 5 2 3.97620E+01 7 T 2 6 2 4.02130E+01 8 T 3 5 1 4.02830E+01 9 T 3 5 3 4.03568E+01 10 T 2 7 2 4.04867E+01 11 T 2 8 2 4.06620E+01 12 T 3 6 1 4.07508E+01 13 T 2 9 2 4.07823E+01 14 T 3 6 3 4.07937E+01 15 T 2 10 2 4.08681E+01 4 2 1 8 3 4.179052E+01 1 T 3 3 2 3.76463E+01 2 T 3 4 2 3.95094E+01 3 T 3 5 2 4.03350E+01 4 T 3 6 2 4.07816E+01 5 T 3 7 2 4.10502E+01 6 T 3 8 2 4.12242E+01 7 T 3 9 2 4.13434E+01 8 T 3 10 2 4.14286E+01 4 3 0 7 3 4.179052E+01 1 T 3 4 3 3.95208E+01 2 T 3 5 3 4.03407E+01 3 T 3 6 3 4.07850E+01 4 T 3 7 3 4.10524E+01 5 T 3 8 3 4.12257E+01 6 T 3 9 3 4.13445E+01 7 T 3 10 3 4.14293E+01 4 3 1 13 2 4.123156E+01 1 T 3 3 2 3.75250E+01 2 T 2 4 3 3.89750E+01 3 T 3 4 2 3.94692E+01 4 T 2 5 3 3.97875E+01 5 T 2 6 3 4.02287E+01 6 T 3 5 2 4.03159E+01 7 T 3 5 4 4.03552E+01 8 T 2 7 3 4.04950E+01 9 T 2 8 3 4.06678E+01 10 T 3 6 2 4.07708E+01 11 T 2 9 3 4.07863E+01 12 T 3 6 4 4.07930E+01 13 T 2 10 3 4.08709E+01 4 4 0 9 2 4.123156E+01 1 T 3 4 3 3.95265E+01 2 T 2 5 4 3.97972E+01 3 T 2 6 4 4.02306E+01 4 T 3 5 3 4.03455E+01 5 T 2 7 4 4.04979E+01 6 T 2 8 4 4.06691E+01 7 T 2 9 4 4.07820E+01 8 T 3 6 5 4.07915E+01 9 T 3 6 3 4.07927E+01 4 4 1 6 3 4.179052E+01 1 T 3 5 4 4.03458E+01 2 T 3 6 4 4.07880E+01 3 T 3 7 4 4.10542E+01 4 T 3 8 4 4.12269E+01 5 T 3 9 4 4.13453E+01 6 T 3 10 4 4.14300E+01 4 5 0 5 3 4.179052E+01 1 T 3 6 5 4.07893E+01 2 T 3 7 5 4.10550E+01 3 T 3 8 5 4.12275E+01 4 T 3 9 5 4.13457E+01 5 T 3 10 5 4.14302E+01 4 5 1 6 2 4.123156E+01 1 T 2 6 5 4.02282E+01 2 T 3 5 4 4.03515E+01 3 T 2 7 5 4.04980E+01 4 T 2 8 5 4.06690E+01 5 T 2 9 5 4.07830E+01 6 T 3 6 4 4.07941E+01 4 6 0 4 2 4.123156E+01 1 T 2 7 6 4.04967E+01 2 T 2 8 6 4.06686E+01 3 T 2 9 6 4.07832E+01 4 T 3 6 5 4.07943E+01 4 6 1 4 3 4.179052E+01 1 T 3 7 6 4.10556E+01 2 T 3 8 6 4.12278E+01 3 T 3 9 6 4.13459E+01 4 T 3 10 6 4.14304E+01 4 7 0 3 3 4.179052E+01 1 T 3 8 7 4.12280E+01 2 T 3 9 7 4.13460E+01 3 T 3 10 7 4.14305E+01 4 7 1 3 2 4.123156E+01 1 T 2 8 7 4.06691E+01 2 T 2 9 7 4.07871E+01 3 T 2 10 7 4.08715E+01 4 8 0 2 2 4.123156E+01 1 T 2 9 8 4.07871E+01 2 T 2 10 8 4.08716E+01 4 8 1 2 3 4.179052E+01 1 T 3 9 8 4.13461E+01 2 T 3 10 8 4.14305E+01 4 9 0 1 3 4.179052E+01 1 T 3 10 9 4.14305E+01 4 9 1 1 2 4.123156E+01 1 T 2 10 9 4.08716E+01 0 0 0 0