--------------------------- 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 VII : 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= 1 no of target/core states in WF = 10 target states and energies: 1 1s 2S 0.00000E+00 2 2s 2S 4.80000E+01 3 2p 2Po 4.80000E+01 4 3s 2S 5.68889E+01 5 3p 2Po 5.68889E+01 6 3d 2D 5.68889E+01 7 4f 2Fo 6.00000E+01 8 4d 2D 6.00000E+01 9 4p 2Po 6.00000E+01 10 4s 2S 6.00000E+01 --------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) -------------------------------------------------------------------------- Ion ground state = 10000201.0000, Eo(Ry) = -5.4255E+01 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 105 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) 1s (2S ) 0s a1S -54.25460 1s (2S ) 2s b1S -12.50690 1s (2S ) 3s c1S -5.52246 1s (2S ) 4s d1S -3.09566 1s (2S ) 5s e1S -1.97707 1s (2S ) 6s f1S -1.37084 1s (2S ) 7s g1S -1.00628 1s (2S ) 8s h1S -0.76985 1s (2S ) 9s i1S -0.60790 1s (2S )10s j1S -0.49215 1s (2S ) 2s a3S -13.08870 1s (2S ) 3s b3S -5.67662 1s (2S ) 4s c3S -3.15811 1s (2S ) 5s d3S -2.00841 1s (2S ) 6s e3S -1.38880 1s (2S ) 7s f3S -1.01748 1s (2S ) 8s g3S -0.77731 1s (2S ) 9s h3S -0.61312 1s (2S )10s i3S -0.49595 1s (2S ) 2p z1Po -12.14250 1s (2S ) 3p y1Po -5.41659 1s (2S ) 4p x1Po -3.05135 1s (2S ) 5p w1Po -1.95447 1s (2S ) 6p v1Po -1.35781 1s (2S ) 7p u1Po -0.99808 1s (2S ) 8p t1Po -0.76436 1s (2S ) 9p s1Po -0.60404 1s (2S ) 2p z3Po -12.53530 1s (2S ) 3p y3Po -5.52604 1s (2S ) 4p x3Po -3.09648 1s (2S ) 5p w3Po -1.97732 1s (2S ) 6p v3Po -1.37097 1s (2S ) 7p u3Po -1.00632 1s (2S ) 8p t3Po -0.76986 1s (2S ) 9p s3Po -0.60790 1s (2S )10p r3Po -0.49215 1s (2S ) 3d a1D -5.44426 1s (2S ) 4d b1D -3.06232 1s (2S ) 5d c1D -1.95990 1s (2S ) 6d d1D -1.36097 1s (2S ) 7d e1D -0.99998 1s (2S ) 8d f1D -0.76562 1s (2S ) 9d g1D -0.60493 1s (2S ) 3d a3D -5.44793 1s (2S ) 4d b3D -3.06432 1s (2S ) 5d c3D -1.96103 1s (2S ) 6d d3D -1.36165 1s (2S ) 7d e3D -1.00042 1s (2S ) 8d f3D -0.76592 1s (2S ) 9d g3D -0.60514 1s (2S )10d h3D -0.49015 1s (2S ) 4f z1Fo -3.06258 1s (2S ) 5f y1Fo -1.96004 1s (2S ) 6f x1Fo -1.36111 1s (2S ) 7f w1Fo -1.00003 1s (2S ) 8f v1Fo -0.76564 1s (2S ) 9f u1Fo -0.60495 1s (2S )10f t1Fo -0.49000 1s (2S ) 4f z3Fo -3.06260 1s (2S ) 5f y3Fo -1.96006 1s (2S ) 6f x3Fo -1.36113 1s (2S ) 7f w3Fo -1.00004 1s (2S ) 8f v3Fo -0.76565 1s (2S ) 9f u3Fo -0.60495 1s (2S )10f t3Fo -0.49001 1s (2S ) 5g a1G -1.96001 1s (2S ) 6g b1G -1.36112 1s (2S ) 7g c1G -1.00000 1s (2S ) 8g d1G -0.76563 1s (2S ) 9g e1G -0.60494 1s (2S ) 5g a3G -1.96001 1s (2S ) 6g b3G -1.36112 1s (2S ) 7g c3G -0.99999 1s (2S ) 8g d3G -0.76562 1s (2S ) 9g e3G -0.60494 1s (2S ) 6h z1Ho -1.36111 1s (2S ) 7h y1Ho -1.00000 1s (2S ) 8h x1Ho -0.76563 1s (2S ) 9h w1Ho -0.60494 1s (2S )10h v1Ho -0.49000 1s (2S ) 6h z3Ho -1.36111 1s (2S ) 7h y3Ho -1.00001 1s (2S ) 8h x3Ho -0.76563 1s (2S ) 9h w3Ho -0.60494 1s (2S )10h v3Ho -0.49000 1s (2S ) 7i a1I -1.00001 1s (2S ) 8i b1I -0.76562 1s (2S ) 9i c1I -0.60494 1s (2S )10i d1I -0.49000 1s (2S ) 7i a3I -1.00000 1s (2S ) 8i b3I -0.76562 1s (2S ) 9i c3I -0.60494 1s (2S )10i d3I -0.49000 1s (2S ) 8k z1Ko -0.76562 1s (2S ) 9k y1Ko -0.60494 1s (2S )10k x1Ko -0.49000 1s (2S ) 8k z3Ko -0.76562 1s (2S ) 9k y3Ko -0.60494 1s (2S )10k x3Ko -0.49000 1s (2S ) 9l a1L -0.60494 1s (2S )10l b1L -0.49000 1s (2S ) 9l a3L -0.60494 1s (2S )10l b3L -0.49000 1s (2S )10m z1Mo -0.49000 1s (2S )10m z3Mo -0.49000 ---------------------------------------------------------------------------- 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 1 E 1 0 0 10 1 0.000000E+00 1 C 1 0 0 -5.42546E+01 2 T 1 2 0 -1.25069E+01 3 T 1 3 0 -5.52246E+00 4 T 1 4 0 -3.09566E+00 5 T 1 5 0 -1.97707E+00 6 T 1 6 0 -1.37084E+00 7 T 1 7 0 -1.00628E+00 8 T 1 8 0 -7.69849E-01 9 T 1 9 0 -6.07901E-01 10 T 1 10 0 -4.92154E-01 3 0 0 9 1 0.000000E+00 1 T 1 2 0 -1.30887E+01 2 T 1 3 0 -5.67662E+00 3 T 1 4 0 -3.15811E+00 4 T 1 5 0 -2.00841E+00 5 T 1 6 0 -1.38880E+00 6 T 1 7 0 -1.01748E+00 7 T 1 8 0 -7.77309E-01 8 T 1 9 0 -6.13121E-01 9 T 1 10 0 -4.95951E-01 1 1 0 8 3 4.800000E+01 1 T 3 3 1 4.21483E+01 2 T 3 4 1 4.47854E+01 3 T 3 5 1 4.59659E+01 4 T 3 6 1 4.65973E+01 5 T 3 7 1 4.69742E+01 6 T 3 8 1 4.72173E+01 7 T 3 9 1 4.73831E+01 8 T 3 10 1 4.75014E+01 1 1 1 8 1 0.000000E+00 1 T 1 2 1 -1.21425E+01 2 T 1 3 1 -5.41659E+00 3 T 1 4 1 -3.05135E+00 4 T 1 5 1 -1.95447E+00 5 T 1 6 1 -1.35781E+00 6 T 1 7 1 -9.98081E-01 7 T 1 8 1 -7.64357E-01 8 T 1 9 1 -6.04045E-01 3 1 0 9 3 4.800000E+01 1 T 3 2 1 3.45530E+01 2 T 3 3 1 4.23607E+01 3 T 3 4 1 4.48531E+01 4 T 3 5 1 4.59965E+01 5 T 3 6 1 4.66139E+01 6 T 3 7 1 4.69842E+01 7 T 3 8 1 4.72238E+01 8 T 3 9 1 4.73876E+01 9 T 3 10 1 4.75046E+01 3 1 1 9 1 0.000000E+00 1 T 1 2 1 -1.25353E+01 2 T 1 3 1 -5.52604E+00 3 T 1 4 1 -3.09648E+00 4 T 1 5 1 -1.97732E+00 5 T 1 6 1 -1.37097E+00 6 T 1 7 1 -1.00632E+00 7 T 1 8 1 -7.69858E-01 8 T 1 9 1 -6.07902E-01 9 T 1 10 1 -4.92154E-01 1 2 0 7 1 0.000000E+00 1 T 1 3 2 -5.44426E+00 2 T 1 4 2 -3.06232E+00 3 T 1 5 2 -1.95990E+00 4 T 1 6 2 -1.36097E+00 5 T 1 7 2 -9.99983E-01 6 T 1 8 2 -7.65618E-01 7 T 1 9 2 -6.04929E-01 1 2 1 8 3 4.800000E+01 1 T 3 3 2 4.23328E+01 2 T 3 4 2 4.48539E+01 3 T 3 5 2 4.59992E+01 4 T 3 6 2 4.66160E+01 5 T 3 7 2 4.69858E+01 6 T 3 8 2 4.72249E+01 7 T 3 9 2 4.73885E+01 8 T 3 10 2 4.75052E+01 3 2 0 8 1 0.000000E+00 1 T 1 3 2 -5.44793E+00 2 T 1 4 2 -3.06432E+00 3 T 1 5 2 -1.96103E+00 4 T 1 6 2 -1.36165E+00 5 T 1 7 2 -1.00042E+00 6 T 1 8 2 -7.65919E-01 7 T 1 9 2 -6.05142E-01 8 T 1 10 2 -4.90146E-01 3 2 1 8 3 4.800000E+01 1 T 3 3 2 4.24726E+01 2 T 3 4 2 4.49011E+01 3 T 3 5 2 4.60210E+01 4 T 3 6 2 4.66279E+01 5 T 3 7 2 4.69931E+01 6 T 3 8 2 4.72297E+01 7 T 3 9 2 4.73918E+01 8 T 3 10 2 4.75076E+01 1 3 0 7 3 4.800000E+01 1 T 3 4 3 4.49106E+01 2 T 3 5 3 4.60261E+01 3 T 3 6 3 4.66309E+01 4 T 3 7 3 4.69950E+01 5 T 3 8 3 4.72310E+01 6 T 3 9 3 4.73927E+01 7 T 3 10 3 4.75083E+01 1 3 1 7 1 0.000000E+00 1 T 1 4 3 -3.06258E+00 2 T 1 5 3 -1.96004E+00 3 T 1 6 3 -1.36111E+00 4 T 1 7 3 -1.00003E+00 5 T 1 8 3 -7.65644E-01 6 T 1 9 3 -6.04948E-01 7 T 1 10 3 -4.90004E-01 3 3 0 7 3 4.800000E+01 1 T 3 4 3 4.49129E+01 2 T 3 5 3 4.60276E+01 3 T 3 6 3 4.66318E+01 4 T 3 7 3 4.69956E+01 5 T 3 8 3 4.72314E+01 6 T 3 9 3 4.73930E+01 7 T 3 10 3 4.75085E+01 3 3 1 7 1 0.000000E+00 1 T 1 4 3 -3.06260E+00 2 T 1 5 3 -1.96006E+00 3 T 1 6 3 -1.36113E+00 4 T 1 7 3 -1.00004E+00 5 T 1 8 3 -7.65649E-01 6 T 1 9 3 -6.04953E-01 7 T 1 10 3 -4.90008E-01 1 4 0 5 1 0.000000E+00 1 T 1 5 4 -1.96001E+00 2 T 1 6 4 -1.36112E+00 3 T 1 7 4 -1.000001+00 4 T 1 8 4 -7.65628E-01 5 T 1 9 4 -6.04938E-01 1 4 1 6 3 4.800000E+01 1 T 3 5 4 4.60339E+01 2 T 3 6 4 4.66354E+01 3 T 3 7 4 4.69979E+01 4 T 3 8 4 4.72329E+01 5 T 3 9 4 4.73940E+01 6 T 3 10 4 4.75093E+01 3 4 0 5 1 0.000000E+00 1 T 1 5 4 -1.96001E+00 2 T 1 6 4 -1.36112E+00 3 T 1 7 4 -0.99999E+00 4 T 1 8 4 -7.65625E-01 5 T 1 9 4 -6.04938E-01 3 4 1 6 3 4.800000E+01 1 T 3 5 4 4.60339E+01 2 T 3 6 4 4.66354E+01 3 T 3 7 4 4.69979E+01 4 T 3 8 4 4.72329E+01 5 T 3 9 4 4.73941E+01 6 T 3 10 4 4.75093E+01 1 5 0 5 3 4.800000E+01 1 T 3 6 5 4.66370E+01 2 T 3 7 5 4.69989E+01 3 T 3 8 5 4.72336E+01 4 T 3 9 5 4.73945E+01 5 T 3 10 5 4.75096E+01 1 5 1 5 1 0.000000E+00 1 T 1 6 5 -1.36111E+00 2 T 1 7 5 -1.00000E+00 3 T 1 8 5 -7.65627E-01 4 T 1 9 5 -6.04940E-01 5 T 1 10 5 -4.90001E-01 3 5 0 5 3 4.800000E+01 1 T 3 6 5 4.66370E+01 2 T 3 7 5 4.69989E+01 3 T 3 8 5 4.72336E+01 4 T 3 9 5 4.73945E+01 5 T 3 10 5 4.75096E+01 3 5 1 5 1 0.000000E+00 1 T 1 6 5 -1.36111E+00 2 T 1 7 5 -1.00001E+00 3 T 1 8 5 -7.65627E-01 4 T 1 9 5 -6.04940E-01 5 T 1 10 5 -4.90001E-01 1 6 0 4 1 0.000000E+00 1 T 1 7 6 -1.00001E+00 2 T 1 8 6 -7.65623E-01 3 T 1 9 6 -6.04938E-01 4 T 1 10 6 -4.89999E-01 1 6 1 4 3 4.800000E+01 1 T 3 7 6 4.69993E+01 2 T 3 8 6 4.72340E+01 3 T 3 9 6 4.73948E+01 4 T 3 10 6 4.75097E+01 3 6 0 4 1 0.000000E+00 1 T 1 7 6 -1.00000E+00 2 T 1 8 6 -7.65623E-01 3 T 1 9 6 -6.04938E-01 4 T 1 10 6 -4.90002E-01 3 6 1 4 3 4.800000E+01 1 T 3 7 6 4.69993E+01 2 T 3 8 6 4.72340E+01 3 T 3 9 6 4.73948E+01 4 T 3 10 6 4.75099E+01 1 7 0 3 3 4.800000E+01 1 T 3 8 7 4.72342E+01 2 T 3 9 7 4.73949E+01 3 T 3 10 7 4.75100E+01 1 7 1 3 1 0.000000E+00 1 T 1 8 7 -7.65625E-01 2 T 1 9 7 -6.04939E-01 3 T 1 10 7 -4.90001E-01 3 7 0 3 3 4.800000E+01 1 T 3 8 7 4.72342E+01 2 T 3 9 7 4.73949E+01 3 T 3 10 7 4.75098E+01 3 7 1 3 1 0.000000E+00 1 T 1 8 7 -7.65625E-01 2 T 1 9 7 -6.04939E-01 3 T 1 10 7 -4.90001E-01 1 8 0 2 1 0.000000E+00 1 T 1 9 8 -6.04938E-01 2 T 1 10 8 -4.90001E-01 1 8 1 2 3 4.800000E+01 1 T 3 9 8 4.73950E+01 2 T 3 10 8 4.75099E+01 3 8 0 2 1 0.000000E+00 1 T 1 9 8 -6.04938E-01 2 T 1 10 8 -4.89999E-01 3 8 1 2 3 4.800000E+01 1 T 3 9 8 4.73950E+01 2 T 3 10 8 4.75099E+01 1 9 0 1 3 4.800000E+01 1 T 3 10 9 4.75100E+01 1 9 1 1 1 0.000000E+00 1 T 1 10 9 -4.90000E-01 3 9 0 1 3 4.800000E+01 1 T 3 10 9 4.75100E+01 3 9 1 1 1 0.000000E+00 1 T 1 10 9 -4.90000E-01 0 0 0 0