--------------------------- 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 IV : 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= 4 no of target/core states in WF = 12 target states and energies: 1 2s2 1S 0.00000E+00 2 2s2p 3Po 7.49340E-01 3 2s2p 1Po 1.44707E+00 4 2p2 3P 1.94780E+00 5 2p2 1D 2.11160E+00 6 2p2 1S 2.62363E+00 7 2s3s 3S 4.98435E+00 8 2s3s 1S 5.11472E+00 9 2s3p 1Po 5.29286E+00 10 2s3p 3Po 5.29286E+00 11 2s3d 3D 5.47455E+00 12 2s3d 1D 5.58256E+00 -------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------ Ion ground state = 20110402.0000, Eo(Ry) = -5.6740E+00 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 109 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) 2s2 (1S ) 0s a2S -4.13426 2s2 (1S ) 3s b2S -2.43085 2s2 (1S ) 4s c2S -1.26122 2s2p (3Po) 3p d2S -1.18408 2s2 (1S ) 5s e2S -0.76934 2s2p (1Po) 3p f2S -0.57880 2s2 (1S ) 6s g2S -0.50223 2s2 (1S ) 7s h2S -0.36838 2s2p (3Po) 4p i2S -0.30512 2s2 (1S ) 8s j2S -0.27441 2s2 (1S ) 9s k2S -0.21589 2s2 (1S )10s l2S -0.17349 2p2 (3P ) 3p z2So -0.23459 2s2 (1S ) 0s a2P -4.00118 2s2p (3Po) 3p b2P -1.42753 2s2p (1Po) 3p c2P -0.61271 2s2p (3Po) 4p d2P -0.44257 2p2 (3P ) 3s e2P -0.25291 2s2 (1S ) 2p z2Po -5.67402 2s2p (3Po) 0s y2Po -2.97515 2s2 (1S ) 3p x2Po -2.13494 2s2p (3Po) 3s w2Po -1.55486 2s2 (1S ) 4p v2Po -1.13046 2s2p (3Po) 3d u2Po -0.99169 2s2p (1Po) 3s t2Po -0.89668 2s2 (1S ) 5p s2Po -0.70519 2s2 (1S ) 6p r2Po -0.48976 2s2p (3Po) 4s q2Po -0.45821 2s2 (1S ) 7p p2Po -0.35225 2s2p (1Po) 3d o2Po -0.31340 2s2 (1S ) 8p n2Po -0.26251 2s2p (3Po) 4d m2Po -0.23821 2s2 (1S ) 9p l2Po -0.20710 2s2 (1S )10p k2Po -0.16714 2s2 (1S ) 0s a2D -4.50727 2s2 (1S ) 3d b2D -1.86780 2s2p (3Po) 3p c2D -1.28190 2s2 (1S ) 4d d2D -1.03492 2s2 (1S ) 5d e2D -0.65833 2s2p (1Po) 3p f2D -0.63364 2s2 (1S ) 6d g2D -0.45518 2s2p (3Po) 4p h2D -0.35487 2s2 (1S ) 7d i2D -0.33279 2s2 (1S ) 8d j2D -0.25462 2s2p (3Po) 4f k2D -0.25206 2s2 (1S ) 9d l2D -0.20065 2p2 (1D ) 3s m2D -0.19148 2s2 (1S )10d n2D -0.16225 2s2 (1S ) 0s z2Do -3.31996 2s2p (3Po) 3d y2Do -1.11179 2s2p (1Po) 3d x2Do -0.38363 2s2p (3Po) 4d w2Do -0.27012 2p2 (3P ) 3p v2Do -0.12260 2s2p (3Po) 4f a2F -0.27611 2s2p (3Po) 3d z2Fo -1.03053 2s2 (1S ) 4f y2Fo -1.01124 2s2 (1S ) 5f x2Fo -0.65147 2s2 (1S ) 6f w2Fo -0.46322 2s2p (1Po) 3d v2Fo -0.38814 2s2 (1S ) 7f u2Fo -0.31919 2s2p (3Po) 4d t2Fo -0.25326 2s2 (1S ) 8f s2Fo -0.24391 2s2 (1S ) 9f r2Fo -0.19632 2s2 (1S ) 5g a2G -0.64129 2s2 (1S ) 6g b2G -0.44532 2s2 (1S ) 7g c2G -0.32715 2s2p (3Po) 4f d2G -0.25172 2s2 (1S ) 8g e2G -0.25045 2s2 (1S ) 9g f2G -0.19787 2s2 (1S )10g g2G -0.16026 2s2 (1S ) 6h z2Ho -0.44469 2s2 (1S ) 7h y2Ho -0.32670 2s2 (1S ) 8h x2Ho -0.25012 2s2 (1S ) 9h w2Ho -0.19762 2s2 (1S )10h v2Ho -0.16007 2s2 (1S ) 7i a2I -0.32658 2s2 (1S ) 8i b2I -0.25005 2s2 (1S ) 9i c2I -0.19757 2s2 (1S )10i d2I -0.16003 2s2 (1S ) 8k z2Ko -0.25001 2s2 (1S ) 9k y2Ko -0.19754 2s2 (1S )10k x2Ko -0.16001 2s2 (1S ) 9l a2L -0.19753 2s2 (1S )10l b2L -0.16000 2s2 (1S )10m z2Mo -0.16000 2s2p (3Po) 3p a4S -1.36296 2s2p (3Po) 4p b4S -0.37730 2s2p (3Po) 0s z4So -3.53880 2p2 (3P ) 3p y4So -0.05029 2s2 (1S ) 0s a4P -5.03127 2s2p (3Po) 3p b4P -1.32003 2s2p (3Po) 4p c4P -0.41820 2p2 (3P ) 3s d4P -0.36437 2s2p (3Po) 3s z4Po -1.68689 2s2p (3Po) 3d y4Po -1.09239 2s2p (3Po) 4s x4Po -0.50106 2s2p (3Po) 4d w4Po -0.28093 2p2 (3P ) 3p v4Po -0.14525 2s2p (3Po) 5s u4Po -0.00817 2s2p (3Po) 3p a4D -1.41688 2s2p (3Po) 4p b4D -0.39776 2s2p (3Po) 4f c4D -0.25475 2s2p (3Po) 3d z4Do -1.13306 2s2p (3Po) 4d y4Do -0.29329 2p2 (3P ) 3p x4Do -0.17863 2s2p (3Po) 4f a4F -0.27648 2s2p (3Po) 3d z4Fo -1.17442 2s2p (3Po) 4d y4Fo -0.31018 2s2p (3Po) 4f a4G -0.25377 --------------------------------------------------------------------------- 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 4 E 2 0 0 12 1 0.000000E+00 1 C 1 0 0 -4.13426E+00 2 T 1 3 0 -2.43085E+00 3 T 1 4 0 -1.26122E+00 4 T 2 3 1 -1.18408E+00 5 T 1 5 0 -7.69343E-01 6 T 3 3 1 -5.78799E-01 7 T 1 6 0 -5.02235E-01 8 T 1 7 0 -3.68379E-01 9 T 2 4 1 -3.05120E-01 10 T 1 8 0 -2.74406E-01 11 T 1 9 0 -2.15889E-01 12 T 1 10 0 -1.73493E-01 2 0 1 8 4 1.947800E+00 1 T 4 3 1 -2.34588E-01 2 T 4 4 1 7.99253E-01 3 T 4 5 1 1.23367E+00 4 T 4 6 1 1.46200E+00 5 T 4 7 1 1.59578E+00 6 T 4 8 1 1.68092E+00 7 T 4 9 1 1.73851E+00 8 T 4 10 1 1.77927E+00 2 1 0 14 2 7.493400E-01 1 C 1 0 0 -4.00118E+00 2 T 2 3 1 -1.42753E+00 3 T 3 3 1 -6.12713E-01 4 T 2 4 1 -4.42566E-01 5 T 4 3 0 -2.52915E-01 6 T 2 5 1 3.86850E-02 7 T 4 3 2 8.95369E-02 8 T 2 6 1 2.65954E-01 9 T 3 4 1 3.36772E-01 10 T 2 7 1 3.93253E-01 11 T 5 3 2 4.04194E-01 12 T 2 8 1 4.82996E-01 13 T 2 9 1 5.40078E-01 14 T 2 10 1 5.80642E-01 2 1 1 16 1 0.000000E+00 1 T 1 2 1 -5.67402E+00 2 C 2 0 0 -2.97515E+00 3 T 1 3 1 -2.13494E+00 4 T 2 3 0 -1.55486E+00 5 T 1 4 1 -1.13046E+00 6 T 2 3 2 -9.91694E-01 7 T 3 3 0 -8.96684E-01 8 T 1 5 1 -7.05190E-01 9 T 1 6 1 -4.89765E-01 10 T 2 4 0 -4.58212E-01 11 T 1 7 1 -3.52246E-01 12 T 3 3 2 -3.13400E-01 13 T 1 8 1 -2.62514E-01 14 T 2 4 2 -2.38214E-01 15 T 1 9 1 -2.07096E-01 16 T 1 10 1 -1.67144E-01 2 2 0 14 1 0.000000E+00 1 C 1 0 0 -4.50727E+00 2 T 1 3 2 -1.86780E+00 3 T 2 3 1 -1.28190E+00 4 T 1 4 2 -1.03492E+00 5 T 1 5 2 -6.58331E-01 6 T 3 3 1 -6.33644E-01 7 T 1 6 2 -4.55179E-01 8 T 2 4 1 -3.54869E-01 9 T 1 7 2 -3.32788E-01 10 T 1 8 2 -2.54625E-01 11 T 2 4 3 -2.52064E-01 12 T 1 9 2 -2.00655E-01 13 T 5 3 0 -1.91478E-01 14 T 1 10 2 -1.62250E-01 2 2 1 13 2 7.493400E-01 1 C 1 0 0 -3.31996E+00 2 T 2 3 2 -1.11179E+00 3 T 3 3 2 -3.83626E-01 4 T 2 4 2 -2.70123E-01 5 T 4 3 1 -1.22598E-01 6 T 2 5 2 8.50713E-02 7 T 5 3 1 1.11706E-01 8 T 2 6 2 2.94830E-01 9 T 3 4 2 4.02279E-01 10 T 2 7 2 4.23224E-01 11 T 2 8 2 4.96151E-01 12 T 2 9 2 5.49341E-01 13 T 2 10 2 5.87467E-01 2 3 0 10 2 7.493400E-01 1 T 2 4 3 -2.76106E-01 2 T 2 3 2 5.47236E-02 3 T 2 5 3 1.39449E-01 4 T 5 3 2 2.61020E-01 5 T 2 6 3 3.14507E-01 6 T 2 7 3 4.23517E-01 7 T 3 4 3 4.43813E-01 8 T 2 8 3 4.99361E-01 9 T 2 9 3 5.51536E-01 10 T 2 10 3 5.89015E-01 2 3 1 9 1 0.000000E+00 1 T 2 3 2 -1.03053E+00 2 T 1 4 3 -1.01124E+00 3 T 1 5 3 -6.51468E-01 4 T 1 6 3 -4.63219E-01 5 T 3 3 2 -3.88143E-01 6 T 1 7 3 -3.19189E-01 7 T 2 4 2 -2.53263E-01 8 T 1 8 3 -2.43908E-01 9 T 1 9 3 -1.96316E-01 2 4 0 7 1 0.000000E+00 1 T 1 5 4 -6.41286E-01 2 T 1 6 4 -4.45317E-01 3 T 1 7 4 -3.27149E-01 4 T 2 4 3 -2.51722E-01 5 T 1 8 4 -2.50449E-01 6 T 1 9 4 -1.97866E-01 7 T 1 10 4 -1.60256E-01 2 4 1 6 2 7.493400E-01 1 T 2 5 4 1.06007E-01 2 T 2 6 4 3.02851E-01 3 T 2 7 4 4.21443E-01 4 T 2 8 4 4.98376E-01 5 T 2 9 4 5.51101E-01 6 T 2 10 4 5.88805E-01 2 5 0 5 2 7.493400E-01 1 T 2 6 5 3.04039E-01 2 T 2 7 5 4.22305E-01 3 T 2 8 5 4.98985E-01 4 T 2 9 5 5.51550E-01 5 T 2 10 5 5.89146E-01 2 5 1 5 1 0.000000E+00 1 T 1 6 5 -4.44693E-01 2 T 1 7 5 -3.26698E-01 3 T 1 8 5 -2.50122E-01 4 T 1 9 5 -1.97622E-01 5 T 1 10 5 -1.60069E-01 2 6 0 4 1 0.000000E+00 1 T 1 7 6 -3.26584E-01 2 T 1 8 6 -2.50045E-01 3 T 1 9 6 -1.97565E-01 4 T 1 10 6 -1.60026E-01 2 6 1 4 2 7.493400E-01 1 T 2 7 6 4.22578E-01 2 T 2 8 6 4.99166E-01 3 T 2 9 6 5.51685E-01 4 T 2 10 6 5.89249E-01 2 7 0 3 2 7.493400E-01 1 T 2 8 7 4.99295E-01 2 T 2 9 7 5.51759E-01 3 T 2 10 7 5.89296E-01 2 7 1 3 1 0.000000E+00 1 T 1 8 7 -2.50009E-01 2 T 1 9 7 -1.97541E-01 3 T 1 10 7 -1.60010E-01 2 8 0 2 1 0.000000E+00 1 T 1 9 8 -1.97532E-01 2 T 1 10 8 -1.60001E-01 2 8 1 2 2 7.493400E-01 1 T 2 9 8 5.51804E-01 2 T 2 10 8 5.89332E-01 2 9 0 1 2 7.493400E-01 1 T 2 10 9 5.89340E-01 2 9 1 1 1 0.000000E+00 1 T 1 10 9 -1.60000E-01 4 0 0 8 2 7.493400E-01 1 T 2 3 1 -1.36296E+00 2 T 2 4 1 -3.77302E-01 3 T 2 5 1 4.70061E-02 4 T 2 6 1 2.69740E-01 5 T 2 7 1 4.01124E-01 6 T 2 8 1 4.84963E-01 7 T 2 9 1 5.41774E-01 8 T 2 10 1 5.82056E-01 4 0 1 9 4 1.947800E+00 1 C 2 0 0 -3.53880E+00 2 T 4 3 1 -5.02850E-02 3 T 4 4 1 8.58500E-01 4 T 4 5 1 1.26205E+00 5 T 4 6 1 1.47723E+00 6 T 4 7 1 1.60505E+00 7 T 4 8 1 1.68702E+00 8 T 4 9 1 1.74273E+00 9 T 4 10 1 1.78232E+00 4 1 0 11 2 7.493400E-01 1 C 1 0 0 -5.03127E+00 2 T 2 3 1 -1.32003E+00 3 T 2 4 1 -4.18200E-01 4 T 4 3 0 -3.64366E-01 5 T 2 5 1 5.01850E-02 6 T 4 3 2 1.34208E-01 7 T 2 6 1 2.73499E-01 8 T 2 7 1 4.03156E-01 9 T 2 8 1 4.86246E-01 10 T 2 9 1 5.42640E-01 11 T 2 10 1 5.82666E-01 4 1 1 17 2 7.493400E-01 1 T 2 3 0 -1.68689E+00 2 T 2 3 2 -1.09239E+00 3 T 2 4 0 -5.01055E-01 4 T 2 4 2 -2.80930E-01 5 T 4 3 1 -1.45245E-01 6 T 2 5 0 -8.16733E-03 7 T 2 5 2 9.36520E-02 8 T 2 6 0 2.37565E-01 9 T 2 6 2 2.95562E-01 10 T 2 7 0 3.81016E-01 11 T 2 7 2 4.16918E-01 12 T 2 8 0 4.71650E-01 13 T 2 8 2 4.95386E-01 14 T 2 9 0 5.32528E-01 15 T 2 9 2 5.49027E-01 16 T 2 10 0 5.75379E-01 17 T 2 10 2 5.87308E-01 4 2 0 15 2 7.493400E-01 1 T 2 3 1 -1.41688E+00 2 T 2 4 1 -3.97756E-01 3 T 2 4 3 -2.54754E-01 4 T 2 5 1 2.87328E-02 5 T 2 5 3 7.23971E-02 6 T 2 6 3 1.38148E-01 7 T 2 6 1 2.66541E-01 8 T 2 7 3 3.08649E-01 9 T 2 7 1 3.98776E-01 10 T 2 8 3 4.24291E-01 11 T 2 8 1 4.83326E-01 12 T 2 9 3 5.00093E-01 13 T 2 9 1 5.40603E-01 14 T 2 10 3 5.52242E-01 15 T 2 10 1 5.81192E-01 4 2 1 9 2 7.493400E-01 1 T 2 3 2 -1.13306E+00 2 T 2 4 2 -2.93290E-01 3 T 4 3 1 -1.78631E-01 4 T 2 5 2 8.95153E-02 5 T 2 6 2 2.93503E-01 6 T 2 7 2 4.15694E-01 7 T 2 8 2 4.94600E-01 8 T 2 9 2 5.48490E-01 9 T 2 10 2 5.86924E-01 4 3 0 8 2 7.493400E-01 1 T 2 4 3 -2.76485E-01 2 T 4 3 2 1.76679E-02 3 T 2 5 3 1.25177E-01 4 T 2 6 3 3.05292E-01 5 T 2 7 3 4.22095E-01 6 T 2 8 3 4.98580E-01 7 T 2 9 3 5.51157E-01 8 T 2 10 3 5.88806E-01 4 3 1 14 2 7.493400E-01 1 T 2 3 2 -1.17442E+00 2 T 2 4 2 -3.10177E-01 3 T 2 5 2 7.94675E-02 4 T 2 5 4 1.09965E-01 5 T 2 6 2 2.87809E-01 6 T 2 6 4 3.05100E-01 7 T 2 7 2 4.12160E-01 8 T 2 7 4 4.22861E-01 9 T 2 8 2 4.92254E-01 10 T 2 8 4 4.99336E-01 11 T 2 9 2 5.46855E-01 12 T 2 9 4 5.51786E-01 13 T 2 10 2 5.85740E-01 14 T 2 10 4 5.89311E-01 4 4 0 11 2 7.493400E-01 1 T 2 4 3 -2.53770E-01 2 T 2 5 3 1.07168E-01 3 T 2 6 3 3.03450E-01 4 T 2 6 5 3.05158E-01 5 T 2 7 3 4.21837E-01 6 T 2 7 5 4.22932E-01 7 T 2 8 3 4.98661E-01 8 T 2 8 5 4.99419E-01 9 T 2 9 3 5.51319E-01 10 T 2 9 5 5.51862E-01 11 T 2 10 3 5.88976E-01 4 4 1 6 2 7.493400E-01 1 T 2 5 4 1.06005E-01 2 T 2 6 4 3.02849E-01 3 T 2 7 4 4.21441E-01 4 T 2 8 4 4.98376E-01 5 T 2 9 4 5.51100E-01 6 T 2 10 4 5.88804E-01 4 5 0 5 2 7.493400E-01 1 T 2 6 5 3.04038E-01 2 T 2 7 5 4.22305E-01 3 T 2 8 5 4.98985E-01 4 T 2 9 5 5.51550E-01 5 T 2 10 5 5.89146E-01 4 5 1 9 2 7.493400E-01 1 T 2 5 4 1.09478E-01 2 T 2 6 4 3.04935E-01 3 T 2 7 4 4.22786E-01 4 T 2 7 6 4.22922E-01 5 T 2 8 4 4.99334E-01 6 T 2 8 6 4.99400E-01 7 T 2 9 4 5.51805E-01 8 T 2 9 6 5.51846E-01 9 T 2 10 4 5.89336E-01 4 6 0 4 2 7.493400E-01 1 T 2 6 5 3.05003E-01 2 T 2 7 5 4.22858E-01 3 T 2 8 5 4.99369E-01 4 T 2 9 5 5.51835E-01 4 6 1 4 2 7.493400E-01 1 T 2 7 6 4.22578E-01 2 T 2 8 6 4.99166E-01 3 T 2 9 6 5.51685E-01 4 T 2 10 6 5.89249E-01 4 7 0 3 2 7.493400E-01 1 T 2 8 7 4.99295E-01 2 T 2 9 7 5.51759E-01 3 T 2 10 7 5.89296E-01 4 7 1 5 2 7.493400E-01 1 T 2 7 6 4.22852E-01 2 T 2 8 6 4.99368E-01 3 T 2 9 6 5.51799E-01 4 T 2 9 8 5.51799E-01 5 T 2 10 6 5.89331E-01 4 8 0 3 2 7.493400E-01 1 T 2 8 7 4.99350E-01 2 T 2 9 7 5.51820E-01 3 T 2 10 7 5.89338E-01 4 8 1 2 2 7.493400E-01 1 T 2 9 8 5.51804E-01 2 T 2 10 8 5.89332E-01 4 9 0 1 2 7.493400E-01 1 T 2 10 9 5.89340E-01 4 9 1 1 2 7.493400E-01 1 T 2 9 8 5.51811E-01 0 0 0 0