--------------------------- 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 V : 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= 3 no of target/core states in WF = 9 target states and energies: 1 1s22s 2S 0.00000E+00 2 1s22p 2Po 8.81460E-01 3 1s23s 2S 5.83247E+00 4 1s23p 2Po 6.07102E+00 5 1s23d 2D 6.14792E+00 6 1s24s 2S 7.86766E+00 7 1s24p 2Po 7.86766E+00 8 1s24d 2D 7.90144E+00 9 1s24f 2Fo 7.90144E+00 -------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------- Ion ground state = 10000401.0000, Eo(Ry) = -8.3568E+00 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 152 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) 1s22s (2S ) 0s a1S -8.35683 1s23p (2Po) 0s b1S -5.68853 1s22s (2S ) 3s c1S -3.25065 1s22p (2Po) 3p d1S -1.91025 1s22s (2S ) 4s e1S -1.69334 1s22s (2S ) 5s f1S -1.09729 1s22s (2S ) 6s g1S -0.76275 1s22p (2Po) 4p h1S -0.66015 1s22s (2S ) 7s i1S -0.53904 1s22s (2S ) 8s j1S -0.41241 1s22s (2S ) 9s k1S -0.32463 1s22s (2S )10s l1S -0.26209 1s22p (2Po) 3p a1P -2.23418 1s22p (2Po) 4p b1P -0.80668 1s22p (2Po) 5p c1P -0.18124 1s22s (2S ) 2p z1Po -6.89151 1s22s (2S ) 3p y1Po -3.07264 1s22p (2Po) 3s x1Po -2.30571 1s22p (2Po) 3d w1Po -1.80576 1s22s (2S ) 4p v1Po -1.64312 1s22s (2S ) 5p u1Po -1.05773 1s22p (2Po) 4s t1Po -0.85482 1s22s (2S ) 6p s1Po -0.71866 1s22p (2Po) 4d r1Po -0.64251 1s22s (2S ) 7p q1Po -0.52595 1s22s (2S ) 8p p1Po -0.40246 1s22s (2S ) 9p o1Po -0.31775 1s22s (2S )10p n1Po -0.25780 1s23s (2S ) 0s a1D -6.23278 1s22s (2S ) 3d b1D -2.78232 1s22p (2Po) 3p c1D -2.00788 1s22s (2S ) 4d d1D -1.56726 1s22s (2S ) 5d e1D -1.00390 1s22p (2Po) 4p f1D -0.73032 1s22s (2S ) 6d g1D -0.69699 1s22p (2Po) 5p h1D -0.66243 1s22s (2S ) 7d i1D -0.51191 1s22s (2S ) 8d j1D -0.39182 1s22s (2S ) 9d k1D -0.30951 1s22s (2S )10d l1D -0.25064 1s22p (2Po) 3d z1Do -2.03690 1s22p (2Po) 4d y1Do -0.73304 1s22p (2Po) 5d x1Do -0.14538 1s22p (2Po) 4f a1F -0.69467 1s22p (2Po) 5f b1F -0.12696 1s22p (2Po) 3d z1Fo -1.86893 1s22s (2S ) 4f y1Fo -1.53574 1s22s (2S ) 5f x1Fo -0.99971 1s22s (2S ) 6f w1Fo -0.70834 1s22p (2Po) 4d v1Fo -0.64834 1s22s (2S ) 7f u1Fo -0.50729 1s22s (2S ) 8f t1Fo -0.38979 1s22s (2S ) 9f s1Fo -0.30844 1s22s (2S )10f r1Fo -0.25010 1s22s (2S ) 5g a1G -1.00485 1s22s (2S ) 6g b1G -0.71257 1s22p (2Po) 4f c1G -0.66080 1s22s (2S ) 7g d1G -0.50890 1s22s (2S ) 8g e1G -0.39055 1s22s (2S ) 9g f1G -0.30887 1s22s (2S )10g g1G -0.25036 1s22p (2Po) 5g z1Go -0.12230 1s22s (2S ) 6h z1Ho -0.69516 1s22s (2S ) 7h y1Ho -0.51076 1s22s (2S ) 8h x1Ho -0.39109 1s22s (2S ) 9h w1Ho -0.30905 1s22s (2S )10h v1Ho -0.25037 1s22s (2S ) 7i a1I -0.51037 1s22s (2S ) 8i b1I -0.39075 1s22s (2S ) 9i c1I -0.30874 1s22s (2S )10i d1I -0.25008 1s22s (2S ) 8k z1Ko -0.39066 1s22s (2S ) 9k y1Ko -0.30868 1s22s (2S )10k x1Ko -0.25003 1s22s (2S ) 9l a1L -0.30865 1s22s (2S )10l b1L -0.25001 1s22s (2S )10m z1Mo -0.25000 1s22s (2S ) 3s a3S -3.38196 1s22p (2Po) 3p b3S -2.13133 1s22s (2S ) 4s c3S -1.78443 1s22s (2S ) 5s d3S -1.11622 1s22p (2Po) 4p e3S -0.78609 1s22s (2S ) 6s f3S -0.73993 1s22s (2S ) 7s g3S -0.54936 1s22s (2S ) 8s h3S -0.41721 1s22s (2S ) 9s i3S -0.32747 1s22s (2S )10s j3S -0.26392 1s22p (2Po) 0s a3P -6.39768 1s22p (2Po) 3p b3P -2.07647 1s22p (2Po) 4p c3P -0.75586 1s22p (2Po) 5p d3P -0.15826 1s22s (2S ) 2p z3Po -7.60788 1s22s (2S ) 3p y3Po -3.05426 1s22p (2Po) 3s x3Po -2.41176 1s22p (2Po) 3d w3Po -1.91225 1s22s (2S ) 4p v3Po -1.66164 1s22s (2S ) 5p u3Po -1.05399 1s22p (2Po) 4s t3Po -0.88305 1s22s (2S ) 6p s3Po -0.73055 1s22p (2Po) 4d r3Po -0.68409 1s22s (2S ) 7p q3Po -0.52829 1s22s (2S ) 8p p3Po -0.40305 1s22s (2S ) 9p o3Po -0.31748 1s22s (2S )10p n3Po -0.25656 1s22s (2S ) 3d a3D -2.89417 1s22p (2Po) 3p b3D -2.19059 1s22s (2S ) 4d c3D -1.60564 1s22s (2S ) 5d d3D -1.02217 1s22p (2Po) 4p e3D -0.79286 1s22s (2S ) 6d f3D -0.70690 1s22p (2Po) 4f g3D -0.66676 1s22s (2S ) 7d h3D -0.51796 1s22s (2S ) 8d i3D -0.39582 1s22s (2S ) 9d j3D -0.31228 1s22s (2S )10d k3D -0.25265 1s22p (2Po) 3d z3Do -1.94787 1s22p (2Po) 4d y3Do -0.70150 1s22p (2Po) 5d x3Do -0.13044 1s22p (2Po) 4f a3F -0.69353 1s22p (2Po) 5f b3F -0.12622 1s22p (2Po) 3d z3Fo -2.05389 1s22s (2S ) 4f y3Fo -1.55743 1s22s (2S ) 5f x3Fo -1.00259 1s22p (2Po) 4d w3Fo -0.73940 1s22s (2S ) 6f v3Fo -0.69142 1s22s (2S ) 7f u3Fo -0.51075 1s22s (2S ) 8f t3Fo -0.39122 1s22s (2S ) 9f s3Fo -0.30917 1s22s (2S )10f r3Fo -0.25047 1s22s (2S ) 5g a3G -1.00486 1s22s (2S ) 6g b3G -0.71376 1s22p (2Po) 4f c3G -0.66375 1s22s (2S ) 7g d3G -0.50901 1s22s (2S ) 8g e3G -0.39058 1s22s (2S ) 9g f3G -0.30888 1s22s (2S )10g g3G -0.25036 1s22p (2Po) 5g z3Go -0.12228 1s22s (2S ) 6h z3Ho -0.69516 1s22s (2S ) 7h y3Ho -0.51076 1s22s (2S ) 8h x3Ho -0.39109 1s22s (2S ) 9h w3Ho -0.30905 1s22s (2S )10h v3Ho -0.25037 1s22s (2S ) 7i a3I -0.51037 1s22s (2S ) 8i b3I -0.39075 1s22s (2S ) 9i c3I -0.30874 1s22s (2S )10i d3I -0.25008 1s22s (2S ) 8k z3Ko -0.39066 1s22s (2S ) 9k y3Ko -0.30868 1s22s (2S )10k x3Ko -0.25003 1s22s (2S ) 9l a3L -0.30865 1s22s (2S )10l b3L -0.25001 1s22s (2S )10m z3Mo -0.25000 --------------------------------------------------------------------------- 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 3 E 1 0 0 12 1 0.000000E+00 1 C 1 0 0 -8.35683E+00 2 C 4 0 0 -5.68853E+00 3 T 1 3 0 -3.25065E+00 4 T 2 3 1 -1.91025E+00 5 T 1 4 0 -1.69334E+00 6 T 1 5 0 -1.09729E+00 7 T 1 6 0 -7.62748E-01 8 T 2 4 1 -6.60147E-01 9 T 1 7 0 -5.39043E-01 10 T 1 8 0 -4.12408E-01 11 T 1 9 0 -3.24634E-01 12 T 1 10 0 -2.62087E-01 1 1 0 8 2 8.814600E-01 1 T 2 3 1 -2.23418E+00 2 T 2 4 1 -8.06683E-01 3 T 2 5 1 -1.81236E-01 4 T 2 6 1 1.51710E-01 5 T 2 7 1 3.49333E-01 6 T 2 8 1 4.76299E-01 7 T 2 9 1 5.62686E-01 8 T 2 10 1 6.24116E-01 1 1 1 13 1 0.000000E+00 1 T 1 2 1 -6.89151E+00 2 T 1 3 1 -3.07264E+00 3 T 2 3 0 -2.30571E+00 4 T 2 3 2 -1.80576E+00 5 T 1 4 1 -1.64312E+00 6 T 1 5 1 -1.05773E+00 7 T 2 4 0 -8.54824E-01 8 T 1 6 1 -7.18660E-01 9 T 2 4 2 -6.42513E-01 10 T 1 7 1 -5.25949E-01 11 T 1 8 1 -4.02462E-01 12 T 1 9 1 -3.17746E-01 13 T 1 10 1 -2.57801E-01 1 2 0 12 1 0.000000E+00 1 C 3 0 0 -6.23278E+00 2 T 1 3 2 -2.78232E+00 3 T 2 3 1 -2.00788E+00 4 T 1 4 2 -1.56726E+00 5 T 1 5 2 -1.00390E+00 6 T 2 4 1 -7.30317E-01 7 T 1 6 2 -6.96994E-01 8 T 2 5 1 -6.62429E-01 9 T 1 7 2 -5.11908E-01 10 T 1 8 2 -3.91825E-01 11 T 1 9 2 -3.09508E-01 12 T 1 10 2 -2.50644E-01 1 2 1 8 2 8.814600E-01 1 T 2 3 2 -2.03690E+00 2 T 2 4 2 -7.33037E-01 3 T 2 5 2 -1.45384E-01 4 T 2 6 2 1.71868E-01 5 T 2 7 2 3.61822E-01 6 T 2 8 2 4.84568E-01 7 T 2 9 2 5.68442E-01 8 T 2 10 2 6.28285E-01 1 3 0 7 2 8.814600E-01 1 T 2 4 3 -6.94666E-01 2 T 2 5 3 -1.26959E-01 3 T 2 6 3 1.82145E-01 4 T 2 7 3 3.68204E-01 5 T 2 8 3 4.88788E-01 6 T 2 9 3 5.71378E-01 7 T 2 10 3 6.30409E-01 1 3 1 9 1 0.000000E+00 1 T 2 3 2 -1.86893E+00 2 T 1 4 3 -1.53574E+00 3 T 1 5 3 -9.99711E-01 4 T 1 6 3 -7.08341E-01 5 T 2 4 2 -6.48336E-01 6 T 1 7 3 -5.07289E-01 7 T 1 8 3 -3.89790E-01 8 T 1 9 3 -3.08444E-01 9 T 1 10 3 -2.50103E-01 1 4 0 7 1 0.000000E+00 1 T 1 5 4 -1.00485E+00 2 T 1 6 4 -7.12573E-01 3 T 2 4 3 -6.60802E-01 4 T 1 7 4 -5.08898E-01 5 T 1 8 4 -3.90549E-01 6 T 1 9 4 -3.08871E-01 7 T 1 10 4 -2.50355E-01 1 4 1 6 2 8.814600E-01 1 T 2 5 4 -1.22296E-01 2 T 2 6 4 1.84852E-01 3 T 2 7 4 3.69948E-01 4 T 2 8 4 4.89950E-01 5 T 2 9 4 5.72193E-01 6 T 2 10 4 6.31004E-01 1 5 0 5 2 8.814600E-01 1 T 2 6 5 1.85867E-01 2 T 2 7 5 3.70591E-01 3 T 2 8 5 4.90383E-01 4 T 2 9 5 5.72502E-01 5 T 2 10 5 6.31230E-01 1 5 1 5 1 0.000000E+00 1 T 1 6 5 -6.95155E-01 2 T 1 7 5 -5.10757E-01 3 T 1 8 5 -3.91092E-01 4 T 1 9 5 -3.09047E-01 5 T 1 10 5 -2.50368E-01 1 6 0 4 1 0.000000E+00 1 T 1 7 6 -5.10372E-01 2 T 1 8 6 -3.90753E-01 3 T 1 9 6 -3.08741E-01 4 T 1 10 6 -2.50078E-01 1 6 1 4 2 8.814600E-01 1 T 2 7 6 3.70859E-01 2 T 2 8 6 4.90597E-01 3 T 2 9 6 5.72650E-01 4 T 2 10 6 6.31334E-01 1 7 0 3 2 8.814600E-01 1 T 2 8 7 4.90718E-01 2 T 2 9 7 5.72718E-01 3 T 2 10 7 6.31386E-01 1 7 1 3 1 0.000000E+00 1 T 1 8 7 -3.90663E-01 2 T 1 9 7 -3.08680E-01 3 T 1 10 7 -2.50031E-01 1 8 0 2 1 0.000000E+00 1 T 1 9 8 -3.08648E-01 2 T 1 10 8 -2.50008E-01 1 8 1 2 2 8.814600E-01 1 T 2 9 8 5.72795E-01 2 T 2 10 8 6.31431E-01 1 9 0 1 2 8.814600E-01 1 T 2 10 9 6.31457E-01 1 9 1 1 1 0.000000E+00 1 T 1 10 9 -2.50001E-01 3 0 0 10 1 0.000000E+00 1 T 1 3 0 -3.38196E+00 2 T 2 3 1 -2.13133E+00 3 T 1 4 0 -1.78443E+00 4 T 1 5 0 -1.11622E+00 5 T 2 4 1 -7.86089E-01 6 T 1 6 0 -7.39931E-01 7 T 1 7 0 -5.49357E-01 8 T 1 8 0 -4.17206E-01 9 T 1 9 0 -3.27470E-01 10 T 1 10 0 -2.63919E-01 3 1 0 9 2 8.814600E-01 1 C 2 0 0 -6.39768E+00 2 T 2 3 1 -2.07647E+00 3 T 2 4 1 -7.55861E-01 4 T 2 5 1 -1.58258E-01 5 T 2 6 1 1.64144E-01 6 T 2 7 1 3.56824E-01 7 T 2 8 1 4.81175E-01 8 T 2 9 1 5.66043E-01 9 T 2 10 1 6.26528E-01 3 1 1 13 1 0.000000E+00 1 T 1 2 1 -7.60788E+00 2 T 1 3 1 -3.05426E+00 3 T 2 3 0 -2.41176E+00 4 T 2 3 2 -1.91225E+00 5 T 1 4 1 -1.66164E+00 6 T 1 5 1 -1.05399E+00 7 T 2 4 0 -8.83050E-01 8 T 1 6 1 -7.30552E-01 9 T 2 4 2 -6.84086E-01 10 T 1 7 1 -5.28288E-01 11 T 1 8 1 -4.03054E-01 12 T 1 9 1 -3.17480E-01 13 T 1 10 1 -2.56558E-01 3 2 0 11 1 0.000000E+00 1 T 1 3 2 -2.89417E+00 2 T 2 3 1 -2.19059E+00 3 T 1 4 2 -1.60564E+00 4 T 1 5 2 -1.02217E+00 5 T 2 4 1 -7.92859E-01 6 T 1 6 2 -7.06903E-01 7 T 2 4 3 -6.66760E-01 8 T 1 7 2 -5.17962E-01 9 T 1 8 2 -3.95817E-01 10 T 1 9 2 -3.12282E-01 11 T 1 10 2 -2.52654E-01 3 2 1 8 2 8.814600E-01 1 T 2 3 2 -1.94787E+00 2 T 2 4 2 -7.01499E-01 3 T 2 5 2 -1.30440E-01 4 T 2 6 2 1.80134E-01 5 T 2 7 2 3.66871E-01 6 T 2 8 2 4.87885E-01 7 T 2 9 2 5.70742E-01 8 T 2 10 2 6.29945E-01 3 3 0 7 2 8.814600E-01 1 T 2 4 3 -6.93535E-01 2 T 2 5 3 -1.26224E-01 3 T 2 6 3 1.82605E-01 4 T 2 7 3 3.68503E-01 5 T 2 8 3 4.88992E-01 6 T 2 9 3 5.71523E-01 7 T 2 10 3 6.30516E-01 3 3 1 9 1 0.000000E+00 1 T 2 3 2 -2.05389E+00 2 T 1 4 3 -1.55743E+00 3 T 1 5 3 -1.00259E+00 4 T 2 4 2 -7.39404E-01 5 T 1 6 3 -6.91419E-01 6 T 1 7 3 -5.10746E-01 7 T 1 8 3 -3.91224E-01 8 T 1 9 3 -3.09171E-01 9 T 1 10 3 -2.50469E-01 3 4 0 7 1 0.000000E+00 1 T 1 5 4 -1.00486E+00 2 T 1 6 4 -7.13764E-01 3 T 2 4 3 -6.63747E-01 4 T 1 7 4 -5.09009E-01 5 T 1 8 4 -3.90581E-01 6 T 1 9 4 -3.08884E-01 7 T 1 10 4 -2.50359E-01 3 4 1 6 2 8.814600E-01 1 T 2 5 4 -1.22283E-01 2 T 2 6 4 1.84864E-01 3 T 2 7 4 3.69957E-01 4 T 2 8 4 4.89957E-01 5 T 2 9 4 5.72199E-01 6 T 2 10 4 6.31008E-01 3 5 0 5 2 8.814600E-01 1 T 2 6 5 1.85867E-01 2 T 2 7 5 3.70591E-01 3 T 2 8 5 4.90383E-01 4 T 2 9 5 5.72502E-01 5 T 2 10 5 6.31230E-01 3 5 1 5 1 0.000000E+00 1 T 1 6 5 -6.95156E-01 2 T 1 7 5 -5.10757E-01 3 T 1 8 5 -3.91092E-01 4 T 1 9 5 -3.09047E-01 5 T 1 10 5 -2.50368E-01 3 6 0 4 1 0.000000E+00 1 T 1 7 6 -5.10372E-01 2 T 1 8 6 -3.90753E-01 3 T 1 9 6 -3.08741E-01 4 T 1 10 6 -2.50078E-01 3 6 1 4 2 8.814600E-01 1 T 2 7 6 3.70859E-01 2 T 2 8 6 4.90597E-01 3 T 2 9 6 5.72650E-01 4 T 2 10 6 6.31334E-01 3 7 0 3 2 8.814600E-01 1 T 2 8 7 4.90718E-01 2 T 2 9 7 5.72718E-01 3 T 2 10 7 6.31386E-01 3 7 1 3 1 0.000000E+00 1 T 1 8 7 -3.90663E-01 2 T 1 9 7 -3.08680E-01 3 T 1 10 7 -2.50031E-01 3 8 0 2 1 0.000000E+00 1 T 1 9 8 -3.08648E-01 2 T 1 10 8 -2.50008E-01 3 8 1 2 2 8.814600E-01 1 T 2 9 8 5.72795E-01 2 T 2 10 8 6.31431E-01 3 9 0 1 2 8.814600E-01 1 T 2 10 9 6.31457E-01 3 9 1 1 1 0.000000E+00 1 T 1 10 9 -2.50001E-01 0 0 0 0