C************************** 786 ******************************************c Ref. "Photoionization and Electron-Ion Recombination of He I", Sultana N. Nahar, New Astronomy 15, 417-426 (2010) C************************************************************************c He I : Calculated LS term energies for (n-max=10, l-max=7) 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 = 2, 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 3.00000E+00 3 2p 2Po 3.00000E+00 4 3d 2D 3.55560E+00 5 3p 2Po 3.55560E+00 6 3s 2S 3.55560E+00 7 4f 2Fo 3.75000E+00 8 4d 2D 3.75000E+00 9 4p 2Po 3.75000E+00 10 4s 2S 3.75000E+00 ------------------------------------------------------------------------ ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------- Ion ground state = 10000200.0000, Eo(Ry) = -1.7738E+00 =-IP lmax(for the outer electron) = 7 Total number of bound states below threshold (with n= 10 & lmax= 9) = 99 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. iv) All energies listed below are relative to the core ground state. Hence, for a state that does not couple to core ground state, the ionization energy is sum of (this energy + energy of the core that couples to the the state) State E(Ry) 1s2 a1S -1.77376 1s (2S ) 2s b1S -0.28900 1s (2S ) 3s c1S -0.12170 1s (2S ) 4s d1S -0.06682 1s (2S ) 5s e1S -0.04218 1s (2S ) 6s f1S -0.02902 1s (2S ) 7s g1S -0.02119 1s (2S ) 8s h1S -0.01614 1s (2S ) 9s i1S -0.01271 1s (2S )10s j1S -0.01026 1s (2S ) 3d a1D -0.11123 1s (2S ) 4d b1D -0.06255 1s (2S ) 5d c1D -0.04003 1s (2S ) 6d d1D -0.02779 1s (2S ) 7d e1D -0.02042 1s (2S ) 8d f1D -0.01563 1s (2S ) 9d g1D -0.01235 1s (2S )10d h1D -0.01000 1s (2S ) 5g a1G -0.04000 1s (2S ) 6g b1G -0.02778 1s (2S ) 7g c1G -0.02041 1s (2S ) 8g d1G -0.01563 1s (2S ) 9g e1G -0.01235 1s (2S )10g f1G -0.01000 1s (2S ) 7i a1I -0.02041 1s (2S ) 8i b1I -0.01562 1s (2S ) 9i c1I -0.01235 1s (2S )10i d1I -0.01000 1s (2S ) 2p z1Po -0.24697 1s (2S ) 3p y1Po -0.11005 1s (2S ) 4p x1Po -0.06203 1s (2S ) 5p w1Po -0.03975 1s (2S ) 6p v1Po -0.02763 1s (2S ) 7p u1Po -0.02032 1s (2S ) 8p t1Po -0.01556 1s (2S ) 9p s1Po -0.01230 1s (2S ) 4f z1Fo -0.06251 1s (2S ) 5f y1Fo -0.04001 1s (2S ) 6f x1Fo -0.02778 1s (2S ) 7f w1Fo -0.02041 1s (2S ) 8f v1Fo -0.01563 1s (2S ) 9f u1Fo -0.01235 1s (2S )10f t1Fo -0.01000 1s (2S ) 6h z1Ho -0.02778 1s (2S ) 7h y1Ho -0.02041 1s (2S ) 8h x1Ho -0.01563 1s (2S ) 9h w1Ho -0.01235 1s (2S )10h v1Ho -0.01000 1s (2S ) 2s a3S -0.35030 1s (2S ) 3s b3S -0.13734 1s (2S ) 4s c3S -0.07300 1s (2S ) 5s d3S -0.04524 1s (2S ) 6s e3S -0.03075 1s (2S ) 7s f3S -0.02225 1s (2S ) 8s g3S -0.01685 1s (2S ) 9s h3S -0.01320 1s (2S )10s i3S -0.01062 1s (2S ) 3d a3D -0.11126 1s (2S ) 4d b3D -0.06257 1s (2S ) 5d c3D -0.04004 1s (2S ) 6d d3D -0.02780 1s (2S ) 7d e3D -0.02042 1s (2S ) 8d f3D -0.01563 1s (2S ) 9d g3D -0.01235 1s (2S )10d h3D -0.01000 1s (2S ) 5g a3G -0.04000 1s (2S ) 6g b3G -0.02778 1s (2S ) 7g c3G -0.02041 1s (2S ) 8g d3G -0.01563 1s (2S ) 9g e3G -0.01235 1s (2S )10g f3G -0.01000 1s (2S ) 7i a3I -0.02041 1s (2S ) 8i b3I -0.01562 1s (2S ) 9i c3I -0.01235 1s (2S )10i d3I -0.01000 1s (2S ) 2p z3Po -0.26557 1s (2S ) 3p y3Po -0.11592 1s (2S ) 4p x3Po -0.06455 1s (2S ) 5p w3Po -0.04105 1s (2S ) 6p v3Po -0.02839 1s (2S ) 7p u3Po -0.02079 1s (2S ) 8p t3Po -0.01588 1s (2S ) 9p s3Po -0.01252 1s (2S )10p r3Po -0.01013 1s (2S ) 4f z3Fo -0.06251 1s (2S ) 5f y3Fo -0.04001 1s (2S ) 6f x3Fo -0.02778 1s (2S ) 7f w3Fo -0.02041 1s (2S ) 8f v3Fo -0.01563 1s (2S ) 9f u3Fo -0.01235 1s (2S )10f t3Fo -0.01000 1s (2S ) 6h z3Ho -0.02778 1s (2S ) 7h y3Ho -0.02041 1s (2S ) 8h x3Ho -0.01563 1s (2S ) 9h w3Ho -0.01235 1s (2S )10h v3Ho -0.01000 1s (2S ) 8k z3Ko -0.01562 1s (2S ) 9k y3Ko -0.01235 1s (2S )10k x3Ko -0.01000 --------------------------------------------------------------------------- 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 (see target table) and energy 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 ------------------------------------------------------ 2 1 E 1 0 0 10 1 0.000000E+00 1 C 0 0 0 -1.77376E+00 2 T 1 2 0 -2.89001E-01 3 T 1 3 0 -1.21703E-01 4 T 1 4 0 -6.68176E-02 5 T 1 5 0 -4.21786E-02 6 T 1 6 0 -2.90231E-02 7 T 1 7 0 -2.11860E-02 8 T 1 8 0 -1.61433E-02 9 T 1 9 0 -1.27082E-02 10 T 1 10 0 -1.02635E-02 1 1 0 8 3 3.000000E+00 1 T 3 3 1 2.83954E+00 2 T 3 4 1 2.91994E+00 3 T 3 5 1 2.95165E+00 4 T 3 6 1 2.96761E+00 5 T 3 7 1 2.97677E+00 6 T 3 8 1 2.98252E+00 7 T 3 9 1 2.98637E+00 8 T 3 10 1 2.98907E+00 1 2 0 8 1 0.000000E+00 1 T 1 3 2 -1.11229E-01 2 T 1 4 2 -6.25505E-02 3 T 1 5 2 -4.00322E-02 4 T 1 6 2 -2.77937E-02 5 T 1 7 2 -2.04172E-02 6 T 1 8 2 -1.56308E-02 7 T 1 9 2 -1.23496E-02 8 T 1 10 2 -1.00029E-02 1 3 0 7 3 3.000000E+00 1 T 3 4 3 2.93604E+00 2 T 3 5 3 2.95925E+00 3 T 3 6 3 2.97180E+00 4 T 3 7 3 2.97933E+00 5 T 3 8 3 2.98420E+00 6 T 3 9 3 2.98753E+00 7 T 3 10 3 2.98991E+00 1 4 0 6 1 0.000000E+00 1 T 1 5 4 -4.00011E-02 2 T 1 6 4 -2.77785E-02 3 T 1 7 4 -2.04087E-02 4 T 1 8 4 -1.56253E-02 5 T 1 9 4 -1.23459E-02 6 T 1 10 4 -1.00002E-02 1 5 0 5 3 3.000000E+00 1 T 3 6 5 2.97215E+00 2 T 3 7 5 2.97954E+00 3 T 3 8 5 2.98434E+00 4 T 3 9 5 2.98763E+00 5 T 3 10 5 2.98998E+00 1 6 0 4 1 0.000000E+00 1 T 1 7 6 -2.04082E-02 2 T 1 8 6 -1.56250E-02 3 T 1 9 6 -1.23457E-02 4 T 1 10 6 -1.00000E-02 1 1 1 8 1 0.000000E+00 1 T 1 2 1 -2.46966E-01 2 T 1 3 1 -1.10045E-01 3 T 1 4 1 -6.20285E-02 4 T 1 5 1 -3.97536E-02 5 T 1 6 1 -2.76334E-02 6 T 1 7 1 -2.03163E-02 7 T 1 8 1 -1.55630E-02 8 T 1 9 1 -1.23020E-02 1 2 1 8 3 3.000000E+00 1 T 3 3 2 2.87265E+00 2 T 3 4 2 2.93098E+00 3 T 3 5 2 2.95676E+00 4 T 3 6 2 2.97039E+00 5 T 3 7 2 2.97845E+00 6 T 3 8 2 2.98362E+00 7 T 3 9 2 2.98713E+00 8 T 3 10 2 2.98962E+00 1 3 1 7 1 0.000000E+00 1 T 1 4 3 -6.25078E-02 2 T 1 5 3 -4.00099E-02 3 T 1 6 3 -2.77796E-02 4 T 1 7 3 -2.04087E-02 5 T 1 8 3 -1.56253E-02 6 T 1 9 3 -1.23460E-02 7 T 1 10 3 -1.00002E-02 1 4 1 6 3 3.000000E+00 1 T 3 5 4 2.95969E+00 2 T 3 6 4 2.97206E+00 3 T 3 7 4 2.97949E+00 4 T 3 8 4 2.98430E+00 5 T 3 9 4 2.98760E+00 6 T 3 10 4 2.98996E+00 1 5 1 5 1 0.000000E+00 1 T 1 6 5 -2.77780E-02 2 T 1 7 5 -2.04083E-02 3 T 1 8 5 -1.56251E-02 4 T 1 9 5 -1.23457E-02 5 T 1 10 5 -1.00001E-02 1 6 1 4 3 3.000000E+00 1 T 3 7 6 2.97958E+00 2 T 3 8 6 2.98436E+00 3 T 3 9 6 2.98764E+00 4 T 3 10 6 2.98999E+00 3 0 0 9 1 0.000000E+00 1 T 1 2 0 -3.50302E-01 2 T 1 3 0 -1.37336E-01 3 T 1 4 0 -7.30024E-02 4 T 1 5 0 -4.52407E-02 5 T 1 6 0 -3.07478E-02 6 T 1 7 0 -2.22534E-02 7 T 1 8 0 -1.68496E-02 8 T 1 9 0 -1.31997E-02 9 T 1 10 0 -1.06192E-02 3 1 0 9 3 3.000000E+00 1 T 3 3 1 2.58143E+00 2 T 3 4 1 2.86522E+00 3 T 3 5 1 2.92862E+00 4 T 3 6 1 2.95567E+00 5 T 3 7 1 2.96980E+00 6 T 3 8 1 2.97809E+00 7 T 3 9 1 2.98338E+00 8 T 3 10 1 2.98696E+00 9 T 3 11 1 2.98950E+00 3 2 0 8 1 0.000000E+00 1 T 1 3 2 -1.11261E-01 2 T 1 4 2 -6.25686E-02 3 T 1 5 2 -4.00428E-02 4 T 1 6 2 -2.78001E-02 5 T 1 7 2 -2.04214E-02 6 T 1 8 2 -1.56336E-02 7 T 1 9 2 -1.23517E-02 8 T 1 10 2 -1.00044E-02 3 3 0 7 3 3.000000E+00 1 T 3 4 3 2.93606E+00 2 T 3 5 3 2.95926E+00 3 T 3 6 3 2.97181E+00 4 T 3 7 3 2.97933E+00 5 T 3 8 3 2.98420E+00 6 T 3 9 3 2.98753E+00 7 T 3 10 3 2.98991E+00 3 4 0 6 1 0.000000E+00 1 T 1 5 4 -4.00011E-02 2 T 1 6 4 -2.77785E-02 3 T 1 7 4 -2.04087E-02 4 T 1 8 4 -1.56253E-02 5 T 1 9 4 -1.23459E-02 6 T 1 10 4 -1.00002E-02 3 5 0 5 3 3.000000E+00 1 T 3 6 5 2.97215E+00 2 T 3 7 5 2.97954E+00 3 T 3 8 5 2.98434E+00 4 T 3 9 5 2.98763E+00 5 T 3 10 5 2.98998E+00 3 6 0 4 1 0.000000E+00 1 T 1 7 6 -2.04082E-02 2 T 1 8 6 -1.56250E-02 3 T 1 9 6 -1.23457E-02 4 T 1 10 6 -1.00000E-02 3 7 0 3 3 3.000000E+00 1 T 3 8 7 2.98437E+00 2 T 3 9 7 2.98765E+00 3 T 3 10 7 2.99000E+00 3 1 1 9 1 0.000000E+00 1 T 1 2 1 -2.65575E-01 2 T 1 3 1 -1.15924E-01 3 T 1 4 1 -6.45453E-02 4 T 1 5 1 -4.10535E-02 5 T 1 6 1 -2.83857E-02 6 T 1 7 1 -2.07900E-02 7 T 1 8 1 -1.58803E-02 8 T 1 9 1 -1.25248E-02 9 T 1 10 1 -1.01305E-02 3 2 1 8 3 3.000000E+00 1 T 3 3 2 2.88152E+00 2 T 3 4 2 2.93476E+00 3 T 3 5 2 2.95866E+00 4 T 3 6 2 2.97147E+00 5 T 3 7 2 2.97913E+00 6 T 3 8 2 2.98407E+00 7 T 3 9 2 2.98744E+00 8 T 3 10 2 2.98984E+00 3 3 1 7 1 0.000000E+00 1 T 1 4 3 -6.25078E-02 2 T 1 5 3 -4.00099E-02 3 T 1 6 3 -2.77796E-02 4 T 1 7 3 -2.04087E-02 5 T 1 8 3 -1.56254E-02 6 T 1 9 3 -1.23460E-02 7 T 1 10 3 -1.00003E-02 3 4 1 6 3 3.000000E+00 1 T 3 5 4 2.95969E+00 2 T 3 6 4 2.97206E+00 3 T 3 7 4 2.97949E+00 4 T 3 8 4 2.98430E+00 5 T 3 9 4 2.98760E+00 6 T 3 10 4 2.98996E+00 3 5 1 5 1 0.000000E+00 1 T 1 6 5 -2.77780E-02 2 T 1 7 5 -2.04083E-02 3 T 1 8 5 -1.56251E-02 4 T 1 9 5 -1.23457E-02 5 T 1 10 5 -1.00001E-02 3 6 1 4 3 3.000000E+00 1 T 3 7 6 2.97958E+00 2 T 3 8 6 2.98436E+00 3 T 3 9 6 2.98764E+00 4 T 3 10 6 2.98999E+00 3 7 1 3 1 0.000000E+00 1 T 1 8 7 -1.56250E-02 2 T 1 9 7 -1.23457E-02 3 T 1 10 7 -1.00000E-02 0 0 0 0