--------------------------- 786 ------------------------------------------- Ref. "Atomic Data For Opacity Calculations: XVI. Photoionization and oscillator strengths of Si - like ions Si$^0$, S$^{2+}$, A$^{4+}$, Ca$^{6+}$", Sultana N. Nahar and Anil K. Pradhan, J. Phys. B 26, 1109 (1993) -------------------------------------------------------------------------- Ar 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 = 18, no of target/core electrons= 13 no of target/core states in WF = 17 target states and energies: 1 3s23p 2Po 0.00000E+00 2 3s3p2 4P 9.24402E-01 3 3s3p2 2D 1.20772E+00 4 3s3p2 2S 1.54734E+00 5 3s3p2 2P 1.66864E+00 6 3s23d 2D 1.99231E+00 7 3p3 2Do 2.31660E+00 8 3p3 4So 2.46510E+00 9 3s3p3d 4Fo 2.62267E+00 10 3p3 2Po 2.69737E+00 11 3s3p3d 4Po 2.88639E+00 12 3s3p3d 4Do 2.91360E+00 13 3s3p3d 2Do 3.06291E+00 14 3s24s 2S 3.11914E+00 15 3s3p3d 2Fo 3.20219E+00 16 3s3p3d 2Po 3.51259E+00 17 3s3p3d 2Fo 3.59756E+00 -------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------- Ion ground state = 30101400.0000, Eo(Ry) = -5.5059E+00 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 433 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) 3s23p (2Po) 0s a1S -5.15400 3s3p2 (4P ) 0s b1S -2.66544 3s23p (2Po) 4p c1S -2.15198 3s3p2 (2D ) 3d d1S -1.84370 3s23p (2Po) 5p e1S -1.30417 3s3p2 (2S ) 4s f1S -1.17694 3s3p2 (2D ) 0s g1S -1.15048 3s23p (2Po) 6p h1S -0.86695 3s23p (2Po) 7p i1S -0.61686 3s3p2 (2D ) 4d j1S -0.53237 3s23p (2Po) 8p k1S -0.45977 3s23p (2Po) 9p l1S -0.35684 3s23p (2Po)10p m1S -0.28482 3p3 (2Do) 3d z1So -1.60898 3s3p2 (2P ) 4p y1So -0.78214 3s23p (2Po) 0s x1So -0.20389 3s23p (2Po) 4p a1P -2.45940 3s3p2 (2D ) 3d b1P -2.26565 3s3p2 (2P ) 3d c1P -1.74470 3s23p (2Po) 5p d1P -1.41543 3s3p2 (2P ) 4s e1P -1.06836 3s23p (2Po) 6p f1P -0.90064 3s23p (2Po) 7p g1P -0.63951 3s3p2 (2D ) 4d h1P -0.60119 3s23p (2Po) 8p i1P -0.47553 3s23p (2Po) 9p j1P -0.36740 3s23p (2Po)10p k1P -0.29242 3s23p (2Po) 0s z1Po -3.69312 3s23p (2Po) 3d y1Po -3.16600 3s23p (2Po) 4s x1Po -2.75772 3s23p (2Po) 4d w1Po -1.78773 3s23p (2Po) 5s v1Po -1.53714 3s3p2 (2D ) 4p u1Po -1.14884 3s23p (2Po) 5d t1Po -1.08689 3s3p2 (2S ) 4p s1Po -1.02942 3s23p (2Po) 6s r1Po -0.98537 3s3p2 (2P ) 4p q1Po -0.78639 3s23p (2Po) 6d p1Po -0.75455 3s23p (2Po) 7s o1Po -0.68676 3s23p (2Po) 7d n1Po -0.55697 3p3 (2Do) 3d m1Po -0.52268 3s23p (2Po) 8s l1Po -0.49582 3s23d (2D ) 4p k1Po -0.46808 3s23p (2Po) 8d j1Po -0.42199 3s23p (2Po) 9s i1Po -0.38592 3s23p (2Po) 9d h1Po -0.33490 3s23p (2Po)10s g1Po -0.30612 3s3p2 (2D ) 4f f1Po -0.28255 3s23p (2Po)10d e1Po -0.26866 3s23p (2Po)11s d1Po -0.25035 3s23p (2Po) 0s a1D -5.36262 3s3p2 (4P ) 0s b1D -3.04983 3s23p (2Po) 4p c1D -2.25637 3s3p2 (2D ) 3d d1D -2.09168 3s3p2 (2S ) 3d e1D -1.90514 3s3p2 (2P ) 3d f1D -1.59865 3s3p2 (2D ) 4s g1D -1.54470 3s23p (2Po) 4f h1D -1.41813 3s3p2 (2D ) 0s i1D -1.35174 3s23p (2Po) 5p j1D -1.33621 3s23p (2Po) 5f k1D -0.98875 3s23p (2Po) 6p l1D -0.89074 3s23d (2D ) 4s m1D -0.71606 3s23p (2Po) 6f n1D -0.69004 3s23p (2Po) 7p o1D -0.62472 3s3p2 (2D ) 4d p1D -0.61172 3s23p (2Po) 7f q1D -0.50984 3s23p (2Po) 8p r1D -0.46607 3s23p (2Po) 8f s1D -0.39098 3s23p (2Po) 9p t1D -0.36194 3s3p2 (2D ) 5s u1D -0.32039 3s23p (2Po) 9f v1D -0.30906 3s23p (2Po)10p w1D -0.28850 3s3p2 (2S ) 0s x1D -0.28622 3s23p (2Po)10f y1D -0.25058 3s23p (2Po) 0s z1Do -4.11308 3s23p (2Po) 3d y1Do -3.44832 3s23p (2Po) 4d x1Do -1.88581 3p3 (2Do) 3d w1Do -1.28529 3s3p2 (2D ) 4p v1Do -1.17896 3s23p (2Po) 5d u1Do -1.13277 3s3p2 (2P ) 4p t1Do -0.79484 3s23p (2Po) 6d s1Do -0.78449 3p3 (2Po) 3d r1Do -0.60254 3s23p (2Po) 7d q1Do -0.55007 3s23d (2D ) 4p p1Do -0.42593 3s23p (2Po) 8d o1Do -0.42353 3s3p2 (2D ) 4f n1Do -0.38508 3p3 (2Do) 4s m1Do -0.37282 3s23p (2Po) 9d l1Do -0.33189 3s23p (2Po)10d k1Do -0.26776 3s3p2 (2D ) 3d a1F -2.41197 3s3p2 (2P ) 3d b1F -1.76797 3s23p (2Po) 4f c1F -1.51583 3s23p (2Po) 5f d1F -1.02671 3s23p (2Po) 6f e1F -0.71419 3s3p2 (2D ) 4d f1F -0.67049 3s23p (2Po) 7f g1F -0.52292 3s23p (2Po) 8f h1F -0.39981 3s23p (2Po) 9f i1F -0.31560 3s23p (2Po)10f j1F -0.25569 3s23p (2Po) 3d z1Fo -3.23853 3s23p (2Po) 4d y1Fo -1.80879 3s3p2 (2D ) 4p x1Fo -1.14884 3s23p (2Po) 5d w1Fo -1.12274 3s23p (2Po) 5g v1Fo -1.00195 3p3 (2Do) 3d u1Fo -0.87960 3p3 (2Po) 3d t1Fo -0.80730 3s23p (2Po) 6d s1Fo -0.77114 3s23p (2Po) 6g r1Fo -0.69592 3s23p (2Po) 7d q1Fo -0.56217 3s23d (2D ) 4p p1Fo -0.52081 3s23p (2Po) 7g o1Fo -0.50548 3s23p (2Po) 8d n1Fo -0.42761 3s23p (2Po) 8g m1Fo -0.39197 3s23p (2Po) 9d l1Fo -0.34246 3s23p (2Po) 9g k1Fo -0.31280 3s3p2 (2D ) 4f j1Fo -0.30443 3s23p (2Po) 0s i1Fo -0.28931 3s23p (2Po)10g h1Fo -0.25426 3s3p2 (2D ) 3d a1G -2.47562 3s23p (2Po) 4f b1G -1.66945 3s23p (2Po) 0s c1G -1.37774 3s23p (2Po) 5f d1G -0.98525 3s23p (2Po) 6h e1G -0.69416 3s23p (2Po) 6f f1G -0.69373 3s3p2 (2D ) 4d g1G -0.60699 3s23p (2Po) 7h h1G -0.51020 3s23p (2Po) 7f i1G -0.50902 3s23p (2Po) 8f j1G -0.39085 3s23p (2Po) 8h k1G -0.39066 3s23p (2Po) 9f l1G -0.30914 3s23p (2Po) 9h m1G -0.30870 3s23p (2Po)10f n1G -0.25054 3s23p (2Po)10h o1G -0.25006 3p3 (2Do) 3d z1Go -1.26680 3s23p (2Po) 5g y1Go -1.01642 3s23p (2Po) 6g x1Go -0.70500 3s23p (2Po) 7g w1Go -0.51789 3s3p2 (2D ) 4f v1Go -0.40849 3s23p (2Po) 8g u1Go -0.39388 3s23p (2Po) 0s t1Go -0.38558 3s23p (2Po) 9g s1Go -0.31253 3s23p (2Po)10g r1Go -0.25313 3s23p (2Po) 6h a1H -0.69828 3s23p (2Po) 7h b1H -0.51261 3s23p (2Po) 8h c1H -0.39230 3s23p (2Po) 9h d1H -0.30987 3s23p (2Po)10h e1H -0.25093 3s23p (2Po) 5g z1Ho -1.00461 3s23p (2Po) 6g y1Ho -0.69875 3s23p (2Po) 7g x1Ho -0.51468 3s23p (2Po) 7i w1Ho -0.51005 3s23p (2Po) 8g v1Ho -0.40272 3s23p (2Po) 8i u1Ho -0.39054 3s3p2 (2D ) 4f t1Ho -0.38082 3s23p (2Po) 9g s1Ho -0.31091 3s23p (2Po) 9i r1Ho -0.30858 3s23p (2Po)10g q1Ho -0.25587 3s23p (2Po) 6h a1I -0.69484 3s23p (2Po) 7h b1I -0.51061 3s23p (2Po) 8h c1I -0.39098 3s23p (2Po) 8k d1I -0.39056 3s23p (2Po) 9h e1I -0.30891 3s23p (2Po) 9k f1I -0.30859 3s23p (2Po)10h g1I -0.25021 3s23p (2Po) 7i z1Io -0.51105 3s23p (2Po) 8i y1Io -0.39136 3s23p (2Po) 9i x1Io -0.30920 3s23p (2Po)10i w1Io -0.25042 3s23p (2Po) 8k a1K -0.39075 3s23p (2Po) 9k b1K -0.30880 3s23p (2Po)10k c1K -0.25015 3s23p (2Po) 7i z1Ko -0.51021 3s23p (2Po) 8i y1Ko -0.39066 3s23p (2Po) 9i x1Ko -0.30872 3s23p (2Po) 9l w1Ko -0.30860 3s23p (2Po)10i v1Ko -0.25008 3s23p (2Po) 8k a1L -0.39062 3s23p (2Po) 9k b1L -0.30863 3s23p (2Po)10k c1L -0.25001 3s23p (2Po) 9l z1Lo -0.30865 3s23p (2Po)10l y1Lo -0.25002 3s23p (2Po)10m a1M -0.25000 3s23p (2Po) 9l z1Mo -0.30864 3s23p (2Po) 4p a3S -2.36878 3s3p2 (2D ) 3d b3S -2.21059 3s23p (2Po) 5p c3S -1.37726 3s3p2 (2S ) 4s d3S -1.23818 3s23p (2Po) 6p e3S -0.89365 3s23p (2Po) 7p f3S -0.63260 3s3p2 (2D ) 4d g3S -0.58692 3s23p (2Po) 8p h3S -0.46956 3s23p (2Po) 9p i3S -0.36327 3s23p (2Po)10p j3S -0.28935 3s23p (2Po) 0s z3So -3.72287 3s3p2 (4P ) 4p y3So -1.54178 3p3 (2Do) 3d x3So -1.13021 3s3p2 (2P ) 4p w3So -0.59148 3s23p (2Po) 0s v3So -0.54721 3s3p2 (4P ) 5p u3So -0.51561 3p3 (4So) 4s t3So -0.22523 3s23p (2Po) 0s a3P -5.50589 3s3p2 (4P ) 0s b3P -3.12968 3s3p2 (4P ) 3d c3P -2.59862 3s23p (2Po) 4p d3P -2.32391 3s3p2 (2D ) 3d e3P -2.25809 3s3p2 (4P ) 4s f3P -1.82432 3s3p2 (2P ) 3d g3P -1.70091 3s3p2 (2D ) 0s h3P -1.42809 3s23p (2Po) 5p i3P -1.36827 3s3p2 (2P ) 4s j3P -1.09611 3s3p2 (4P ) 4d k3P -0.93206 3s23p (2Po) 6p l3P -0.89363 3s23p (2Po) 7p m3P -0.63684 3s3p2 (4P ) 5s n3P -0.61002 3s3p2 (2D ) 4d o3P -0.57903 3s23p (2Po) 8p p3P -0.46970 3s23p (2Po) 9p q3P -0.36381 3s23p (2Po)10p r3P -0.28991 3s23p (2Po) 0s z3Po -4.22902 3s23p (2Po) 3d y3Po -3.50200 3s23p (2Po) 4s x3Po -2.79673 3s23p (2Po) 4d w3Po -1.82736 3s23p (2Po) 5s v3Po -1.55158 3s3p2 (4P ) 4p u3Po -1.35081 3s23p (2Po) 5d t3Po -1.13861 3s3p2 (2D ) 4p s3Po -1.10514 3p3 (2Do) 3d r3Po -1.05517 3s3p2 (4P ) 0s q3Po -1.01180 3s23p (2Po) 6s p3Po -0.99067 3s3p2 (2S ) 4p o3Po -0.80159 3s23p (2Po) 6d n3Po -0.76690 3s23p (2Po) 7s m3Po -0.69065 3s3p2 (2P ) 4p l3Po -0.65453 3s23p (2Po) 7d k3Po -0.55178 3s23p (2Po) 8s j3Po -0.50604 3s23d (2D ) 4p i3Po -0.42917 3s23p (2Po) 8d h3Po -0.41705 3s3p2 (4P ) 5p g3Po -0.41338 3s23p (2Po) 9s f3Po -0.38828 3s3p2 (2D ) 0s e3Po -0.36478 3s23p (2Po) 9d d3Po -0.33002 3s3p2 (2D ) 4f c3Po -0.31804 3s23p (2Po)10s b3Po -0.30337 3s3p2 (2S ) 0s a3Po -0.28084 3s23p (2Po)10d Z3Po -0.26457 3s3p2 (4P ) 3d a3D -2.43942 3s23p (2Po) 4p b3D -2.41129 3s3p2 (2D ) 3d c3D -2.29808 3s3p2 (2S ) 3d d3D -2.11145 3s3p2 (2P ) 3d e3D -1.95205 3s3p2 (2D ) 4s f3D -1.61477 3s23p (2Po) 4f g3D -1.55192 3s23p (2Po) 5p h3D -1.38646 3s23p (2Po) 5f i3D -1.01111 3s23p (2Po) 6p j3D -0.90944 3s3p2 (4P ) 4d k3D -0.85176 3s23d (2D ) 4s l3D -0.75326 3s23p (2Po) 6f m3D -0.70208 3s3p2 (2D ) 4d n3D -0.66321 3s23p (2Po) 7p o3D -0.63343 3s23p (2Po) 7f p3D -0.51629 3s23p (2Po) 8p q3D -0.47302 3s23p (2Po) 8f r3D -0.39537 3s23p (2Po) 9p s3D -0.36656 3s3p2 (2D ) 5s t3D -0.34159 3s3p2 (2S ) 4d u3D -0.31771 3s23p (2Po) 9f v3D -0.30807 3s23p (2Po)10p w3D -0.29029 3s23p (2Po)10f x3D -0.25232 3s23p (2Po) 0s z3Do -4.42843 3s23p (2Po) 3d y3Do -3.43761 3s23p (2Po) 4d x3Do -1.86843 3s3p2 (4P ) 4p w3Do -1.51850 3s3p2 (4P ) 0s v3Do -1.41014 3s23p (2Po) 5d u3Do -1.15715 3s3p2 (2D ) 4p t3Do -1.11883 3p3 (2Do) 3d s3Do -1.08529 3p3 (4So) 3d r3Do -0.80833 3s23p (2Po) 6d q3Do -0.79075 3p3 (2Po) 3d p3Do -0.77818 3s3p2 (2P ) 4p o3Do -0.69524 3s3p2 (4P ) 4f n3Do -0.56864 3s23p (2Po) 7d m3Do -0.55588 3s3p2 (2D ) 0s l3Do -0.47523 3s23p (2Po) 8d k3Do -0.42867 3s3p2 (4P ) 5p j3Do -0.40519 3s3p2 (2D ) 4f i3Do -0.36943 3p3 (2Do) 4s h3Do -0.36217 3s23p (2Po) 9d g3Do -0.32700 3s23d (2D ) 4p f3Do -0.29416 3s23p (2Po)10d e3Do -0.26559 3s3p2 (4P ) 3d a3F -2.85759 3s3p2 (2D ) 3d b3F -2.32343 3s3p2 (2P ) 3d c3F -2.11449 3s23d (2D ) 3d d3F -1.69598 3s23p (2Po) 4f e3F -1.50249 3s23p (2Po) 5f f3F -1.02341 3s3p2 (4P ) 4d g3F -0.90486 3s23p (2Po) 6f h3F -0.70881 3s3p2 (2D ) 4d i3F -0.66581 3s23p (2Po) 7f j3F -0.52042 3s23p (2Po) 8f k3F -0.39797 3s23p (2Po) 9f l3F -0.31415 3s23p (2Po)10f m3F -0.25449 3s23p (2Po) 3d z3Fo -3.79741 3s23p (2Po) 4d y3Fo -1.86094 3s23p (2Po) 0s x3Fo -1.54292 3s3p2 (2D ) 4p w3Fo -1.20474 3s23p (2Po) 5d v3Fo -1.12597 3p3 (2Do) 3d u3Fo -1.07902 3s23p (2Po) 5g t3Fo -1.00092 3s3p2 (4P ) 0s s3Fo -0.79469 3s23p (2Po) 6d r3Fo -0.76866 3s23p (2Po) 6g q3Fo -0.69696 3s3p2 (4P ) 4f p3Fo -0.63478 3s23p (2Po) 7d o3Fo -0.55970 3s3p2 (2D ) 0s n3Fo -0.54250 3s23p (2Po) 7g m3Fo -0.51238 3s23p (2Po) 8d l3Fo -0.42481 3s23d (2D ) 4p k3Fo -0.39671 3s23p (2Po) 8g j3Fo -0.38855 3s3p2 (2D ) 4f i3Fo -0.35873 3s23p (2Po) 9d h3Fo -0.32974 3s23p (2Po) 9g g3Fo -0.31036 3s3p2 (4P ) 5f f3Fo -0.28559 3s23p (2Po)10d e3Fo -0.26618 3s23p (2Po)10g d3Fo -0.25092 3s3p2 (2D ) 3d a3G -2.53337 3s23p (2Po) 4f b3G -1.60425 3s23p (2Po) 5f c3G -1.02786 3s23p (2Po) 6f d3G -0.71339 3s23p (2Po) 6h e3G -0.69415 3s3p2 (2D ) 4d f3G -0.65037 3s23p (2Po) 7f g3G -0.52104 3s23p (2Po) 7h h3G -0.51022 3s23p (2Po) 8f i3G -0.39823 3s23p (2Po) 8h j3G -0.39070 3s23p (2Po) 9f k3G -0.31410 3s23p (2Po) 9h l3G -0.30872 3s23p (2Po)10f m3G -0.25403 3s23p (2Po)10h n3G -0.25007 3p3 (2Do) 3d z3Go -1.43793 3s23p (2Po) 5g y3Go -1.01658 3s23p (2Po) 0s x3Go -0.75476 3s23p (2Po) 6g w3Go -0.70519 3s3p2 (4P ) 4f v3Go -0.59592 3s23p (2Po) 7g u3Go -0.51962 3s3p2 (4P ) 0s t3Go -0.49815 3s3p2 (2D ) 4f s3Go -0.41041 3s23p (2Po) 8g r3Go -0.39102 3s23p (2Po) 9g q3Go -0.31229 3s23p (2Po)10g p3Go -0.25348 3s23p (2Po) 6h a3H -0.69828 3s23p (2Po) 7h b3H -0.51260 3s23p (2Po) 8h c3H -0.39230 3s23p (2Po) 9h d3H -0.30987 3s23p (2Po)10h e3H -0.25093 3s23p (2Po) 5g z3Ho -1.00511 3s23p (2Po) 0s y3Ho -0.81985 3s23p (2Po) 6g x3Ho -0.69876 3s23p (2Po) 7g w3Ho -0.51414 3s23p (2Po) 7i v3Ho -0.51005 3s23p (2Po) 8g u3Ho -0.39666 3s23p (2Po) 8i t3Ho -0.39054 3s3p2 (2D ) 4f s3Ho -0.36368 3s23p (2Po) 9g r3Ho -0.30882 3s23p (2Po) 9i q3Ho -0.30855 3s23p (2Po)10g p3Ho -0.25072 3s23p (2Po) 6h a3I -0.69485 3s23p (2Po) 7h b3I -0.51063 3s23p (2Po) 8h c3I -0.39100 3s23p (2Po) 8k d3I -0.39057 3s23p (2Po) 9h e3I -0.30893 3s23p (2Po) 9k f3I -0.30859 3s23p (2Po)10h g3I -0.25022 3s23p (2Po) 7i z3Io -0.51105 3s23p (2Po) 8i y3Io -0.39136 3s23p (2Po) 9i x3Io -0.30920 3s23p (2Po)10i w3Io -0.25042 3s23p (2Po) 8k a3K -0.39075 3s23p (2Po) 9k b3K -0.30880 3s23p (2Po)10k c3K -0.25015 3s23p (2Po) 7i z3Ko -0.51021 3s23p (2Po) 8i y3Ko -0.39066 3s23p (2Po) 9i x3Ko -0.30872 3s23p (2Po) 9l w3Ko -0.30860 3s23p (2Po)10i v3Ko -0.25008 3s23p (2Po) 8k a3L -0.39062 3s23p (2Po) 9k b3L -0.30863 3s23p (2Po)10k c3L -0.25001 3s23p (2Po) 9l z3Lo -0.30865 3s23p (2Po)10l y3Lo -0.25002 3s23p (2Po)10m a3M -0.25000 3s23p (2Po) 9l z3Mo -0.30864 3s23p (2Po) 0s z5So -4.77651 3s3p2 (4P ) 4p y5So -1.32946 3s3p2 (4P ) 0s x5So -0.60292 3s3p2 (4P ) 5p w5So -0.45473 3p3 (4So) 4s v5So -0.34986 3s3p2 (4P ) 3d a5P -2.70523 3s3p2 (4P ) 4s b5P -1.93916 3s3p2 (4P ) 4d c5P -0.95096 3s3p2 (4P ) 5s d5P -0.63017 3s3p2 (4P ) 5d e5P -0.23317 3s3p2 (4P ) 6s f5P -0.06916 3s3p2 (4P ) 4p z5Po -1.46703 3s23p (2Po) 0s y5Po -0.94606 3s3p2 (4P ) 5p x5Po -0.45636 3s3p2 (4P ) 3d a5D -2.97152 3s3p2 (4P ) 4d b5D -0.91216 3s3p2 (4P ) 5d c5D -0.20692 3s3p2 (4P ) 4p z5Do -1.51059 3s23p (2Po) 0s y5Do -1.42980 3p3 (4So) 3d x5Do -1.03691 3s3p2 (4P ) 0s w5Do -0.83718 3s3p2 (4P ) 4f v5Do -0.65070 3s3p2 (4P ) 5p u5Do -0.47393 3s3p2 (4P ) 5f t5Do -0.10365 3s3p2 (4P ) 3d a5F -3.03866 3s3p2 (4P ) 4d b5F -0.95205 3s3p2 (4P ) 5d c5F -0.22582 3s3p2 (4P ) 5g d5F -0.08925 3s23p (2Po) 0s z5Fo -0.95648 3s3p2 (4P ) 4f y5Fo -0.66874 3s3p3d (4Fo) 4s x5Fo -0.17215 3s3p2 (4P ) 5f w5Fo -0.09807 3s3p2 (4P ) 5g a5G -0.07268 3s23p (2Po) 0s z5Go -1.25407 3s3p2 (4P ) 4f y5Go -0.70535 3s3p2 (4P ) 5f x5Go -0.11558 3s3p2 (4P ) 5g a5H -0.08565 ------------------------------------------------------------------------- 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 ------------------------------------------------------ 18 13 E 1 0 0 13 1 0.000000E+00 1 C 1 0 0 -5.15400E+00 2 C 2 0 0 -2.66544E+00 3 T 1 4 1 -2.15198E+00 4 T 3 3 2 -1.84370E+00 5 T 1 5 1 -1.30417E+00 6 T 4 4 0 -1.17694E+00 7 C 3 0 0 -1.15048E+00 8 T 1 6 1 -8.66950E-01 9 T 1 7 1 -6.16864E-01 10 T 3 4 2 -5.32375E-01 11 T 1 8 1 -4.59773E-01 12 T 1 9 1 -3.56836E-01 13 T 1 10 1 -2.84824E-01 1 0 1 12 5 1.668640E+00 1 T 7 3 2 -1.60898E+00 2 T 5 4 1 -7.82141E-01 3 C 1 0 0 -2.03885E-01 4 T 5 5 1 2.61700E-01 5 T 7 4 2 4.95876E-01 6 T 5 6 1 7.54706E-01 7 T 5 7 1 1.02617E+00 8 T 7 5 2 1.17931E+00 9 T 5 8 1 1.19415E+00 10 T 13 4 2 1.25470E+00 11 T 5 9 1 1.30152E+00 12 T 5 10 1 1.37646E+00 1 1 0 11 1 0.000000E+00 1 T 1 4 1 -2.45940E+00 2 T 3 3 2 -2.26565E+00 3 T 5 3 2 -1.74470E+00 4 T 1 5 1 -1.41543E+00 5 T 5 4 0 -1.06836E+00 6 T 1 6 1 -9.00639E-01 7 T 1 7 1 -6.39507E-01 8 T 3 4 2 -6.01194E-01 9 T 1 8 1 -4.75526E-01 10 T 1 9 1 -3.67399E-01 11 T 1 10 1 -2.92416E-01 1 1 1 23 1 0.000000E+00 1 C 1 0 0 -3.69312E+00 2 T 1 3 2 -3.16600E+00 3 T 1 4 0 -2.75772E+00 4 T 1 4 2 -1.78773E+00 5 T 1 5 0 -1.53714E+00 6 T 3 4 1 -1.14884E+00 7 T 1 5 2 -1.08689E+00 8 T 4 4 1 -1.02942E+00 9 T 1 6 0 -9.85369E-01 10 T 5 4 1 -7.86392E-01 11 T 1 6 2 -7.54551E-01 12 T 1 7 0 -6.86757E-01 13 T 1 7 2 -5.56966E-01 14 T 7 3 2 -5.22678E-01 15 T 1 8 0 -4.95820E-01 16 T 6 4 1 -4.68078E-01 17 T 1 8 2 -4.21993E-01 18 T 1 9 0 -3.85915E-01 19 T 1 9 2 -3.34899E-01 20 T 1 10 0 -3.06115E-01 21 T 3 4 3 -2.82551E-01 22 T 1 10 2 -2.68657E-01 23 T 1 11 0 -2.50347E-01 1 2 0 25 1 0.000000E+00 1 C 1 0 0 -5.36262E+00 2 C 2 0 0 -3.04983E+00 3 T 1 4 1 -2.25637E+00 4 T 3 3 2 -2.09168E+00 5 T 4 3 2 -1.90514E+00 6 T 5 3 2 -1.59865E+00 7 T 3 4 0 -1.54470E+00 8 T 1 4 3 -1.41813E+00 9 C 3 0 0 -1.35174E+00 10 T 1 5 1 -1.33621E+00 11 T 1 5 3 -9.88747E-01 12 T 1 6 1 -8.90740E-01 13 T 6 4 0 -7.16059E-01 14 T 1 6 3 -6.90038E-01 15 T 1 7 1 -6.24725E-01 16 T 3 4 2 -6.11722E-01 17 T 1 7 3 -5.09839E-01 18 T 1 8 1 -4.66074E-01 19 T 1 8 3 -3.90978E-01 20 T 1 9 1 -3.61941E-01 21 T 3 5 0 -3.20387E-01 22 T 1 9 3 -3.09055E-01 23 T 1 10 1 -2.88505E-01 24 C 4 0 0 -2.86217E-01 25 T 1 10 3 -2.50581E-01 1 2 1 16 1 0.000000E+00 1 C 1 0 0 -4.11308E+00 2 T 1 3 2 -3.44832E+00 3 T 1 4 2 -1.88581E+00 4 T 7 3 2 -1.28529E+00 5 T 3 4 1 -1.17896E+00 6 T 1 5 2 -1.13277E+00 7 T 5 4 1 -7.94837E-01 8 T 1 6 2 -7.84493E-01 9 T 10 3 2 -6.02540E-01 10 T 1 7 2 -5.50070E-01 11 T 6 4 1 -4.25933E-01 12 T 1 8 2 -4.23530E-01 13 T 3 4 3 -3.85085E-01 14 T 7 4 0 -3.72825E-01 15 T 1 9 2 -3.31887E-01 16 T 1 10 2 -2.67755E-01 1 3 0 10 1 0.000000E+00 1 T 3 3 2 -2.41197E+00 2 T 5 3 2 -1.76797E+00 3 T 1 4 3 -1.51583E+00 4 T 1 5 3 -1.02671E+00 5 T 1 6 3 -7.14193E-01 6 T 3 4 2 -6.70489E-01 7 T 1 7 3 -5.22918E-01 8 T 1 8 3 -3.99806E-01 9 T 1 9 3 -3.15598E-01 10 T 1 10 3 -2.55685E-01 1 3 1 19 1 0.000000E+00 1 T 1 3 2 -3.23853E+00 2 T 1 4 2 -1.80879E+00 3 T 3 4 1 -1.14884E+00 4 T 1 5 2 -1.12274E+00 5 T 1 5 4 -1.00195E+00 6 T 7 3 2 -8.79598E-01 7 T 10 3 2 -8.07303E-01 8 T 1 6 2 -7.71137E-01 9 T 1 6 4 -6.95924E-01 10 T 1 7 2 -5.62175E-01 11 T 6 4 1 -5.20805E-01 12 T 1 7 4 -5.05478E-01 13 T 1 8 2 -4.27614E-01 14 T 1 8 4 -3.91971E-01 15 T 1 9 2 -3.42462E-01 16 T 1 9 4 -3.12801E-01 17 T 3 4 3 -3.04427E-01 18 C 1 0 0 -2.89313E-01 19 T 1 10 4 -2.54259E-01 1 4 0 15 1 0.000000E+00 1 T 3 3 2 -2.47562E+00 2 T 1 4 3 -1.66945E+00 3 C 1 0 0 -1.37774E+00 4 T 1 5 3 -9.85250E-01 5 T 1 6 5 -6.94158E-01 6 T 1 6 3 -6.93727E-01 7 T 3 4 2 -6.06994E-01 8 T 1 7 5 -5.10204E-01 9 T 1 7 3 -5.09021E-01 10 T 1 8 3 -3.90848E-01 11 T 1 8 5 -3.90664E-01 12 T 1 9 3 -3.09143E-01 13 T 1 9 5 -3.08701E-01 14 T 1 10 3 -2.50542E-01 15 T 1 10 5 -2.50056E-01 1 4 1 9 1 0.000000E+00 1 T 7 3 2 -1.26680E+00 2 T 1 5 4 -1.01642E+00 3 T 1 6 4 -7.04998E-01 4 T 1 7 4 -5.17892E-01 5 T 3 4 3 -4.08494E-01 6 T 1 8 4 -3.93878E-01 7 C 1 0 0 -3.85581E-01 8 T 1 9 4 -3.12534E-01 9 T 1 10 4 -2.53134E-01 1 5 0 5 1 0.000000E+00 1 T 1 6 5 -6.98280E-01 2 T 1 7 5 -5.12606E-01 3 T 1 8 5 -3.92303E-01 4 T 1 9 5 -3.09874E-01 5 T 1 10 5 -2.50930E-01 1 5 1 10 1 0.000000E+00 1 T 1 5 4 -1.00461E+00 2 T 1 6 4 -6.98746E-01 3 T 1 7 4 -5.14681E-01 4 T 1 7 6 -5.10054E-01 5 T 1 8 4 -4.02722E-01 6 T 1 8 6 -3.90543E-01 7 T 3 4 3 -3.80818E-01 8 T 1 9 4 -3.10909E-01 9 T 1 9 6 -3.08585E-01 10 T 1 10 4 -2.55873E-01 1 6 0 7 1 0.000000E+00 1 T 1 6 5 -6.94837E-01 2 T 1 7 5 -5.10611E-01 3 T 1 8 5 -3.90983E-01 4 T 1 8 7 -3.90564E-01 5 T 1 9 5 -3.08913E-01 6 T 1 9 7 -3.08592E-01 7 T 1 10 5 -2.50209E-01 1 6 1 4 1 0.000000E+00 1 T 1 7 6 -5.11053E-01 2 T 1 8 6 -3.91365E-01 3 T 1 9 6 -3.09201E-01 4 T 1 10 6 -2.50420E-01 1 7 0 3 1 0.000000E+00 1 T 1 8 7 -3.90750E-01 2 T 1 9 7 -3.08800E-01 3 T 1 10 7 -2.50150E-01 1 7 1 5 1 0.000000E+00 1 T 1 7 6 -5.10206E-01 2 T 1 8 6 -3.90656E-01 3 T 1 9 6 -3.08723E-01 4 T 1 9 8 -3.08597E-01 5 T 1 10 6 -2.50080E-01 1 8 0 3 1 0.000000E+00 1 T 1 8 7 -3.90616E-01 2 T 1 9 7 -3.08634E-01 3 T 1 10 7 -2.50005E-01 1 8 1 2 1 0.000000E+00 1 T 1 9 8 -3.08653E-01 2 T 1 10 8 -2.50018E-01 1 9 0 1 1 0.000000E+00 1 T 1 10 9 -2.50001E-01 1 9 1 1 1 0.000000E+00 1 T 1 9 8 -3.08641E-01 3 0 0 10 1 0.000000E+00 1 T 1 4 1 -2.36878E+00 2 T 3 3 2 -2.21059E+00 3 T 1 5 1 -1.37726E+00 4 T 4 4 0 -1.23818E+00 5 T 1 6 1 -8.93652E-01 6 T 1 7 1 -6.32600E-01 7 T 3 4 2 -5.86921E-01 8 T 1 8 1 -4.69564E-01 9 T 1 9 1 -3.63270E-01 10 T 1 10 1 -2.89348E-01 3 0 1 15 2 9.244020E-01 1 C 1 0 0 -3.72287E+00 2 T 2 4 1 -1.54178E+00 3 T 7 3 2 -1.13021E+00 4 T 5 4 1 -5.91483E-01 5 C 1 0 0 -5.47214E-01 6 T 2 5 1 -5.15608E-01 7 T 8 4 0 -2.25234E-01 8 T 2 6 1 1.94108E-02 9 T 2 7 1 2.79543E-01 10 T 5 5 1 3.17199E-01 11 T 2 8 1 4.47915E-01 12 T 7 4 2 4.95923E-01 13 T 2 9 1 5.56106E-01 14 C 2 0 0 6.06081E-01 15 T 2 10 1 6.31376E-01 3 1 0 18 1 0.000000E+00 1 C 1 0 0 -5.50589E+00 2 C 2 0 0 -3.12968E+00 3 T 2 3 2 -2.59862E+00 4 T 1 4 1 -2.32391E+00 5 T 3 3 2 -2.25809E+00 6 T 2 4 0 -1.82432E+00 7 T 5 3 2 -1.70091E+00 8 C 3 0 0 -1.42809E+00 9 T 1 5 1 -1.36827E+00 10 T 5 4 0 -1.09611E+00 11 T 2 4 2 -9.32061E-01 12 T 1 6 1 -8.93633E-01 13 T 1 7 1 -6.36836E-01 14 T 2 5 0 -6.10022E-01 15 T 3 4 2 -5.79029E-01 16 T 1 8 1 -4.69701E-01 17 T 1 9 1 -3.63813E-01 18 T 1 10 1 -2.89911E-01 3 1 1 27 1 0.000000E+00 1 C 1 0 0 -4.22902E+00 2 T 1 3 2 -3.50200E+00 3 T 1 4 0 -2.79673E+00 4 T 1 4 2 -1.82736E+00 5 T 1 5 0 -1.55158E+00 6 T 2 4 1 -1.35081E+00 7 T 1 5 2 -1.13861E+00 8 T 3 4 1 -1.10514E+00 9 T 7 3 2 -1.05517E+00 10 C 2 0 0 -1.01180E+00 11 T 1 6 0 -9.90665E-01 12 T 4 4 1 -8.01586E-01 13 T 1 6 2 -7.66898E-01 14 T 1 7 0 -6.90649E-01 15 T 5 4 1 -6.54526E-01 16 T 1 7 2 -5.51781E-01 17 T 1 8 0 -5.06039E-01 18 T 6 4 1 -4.29175E-01 19 T 1 8 2 -4.17050E-01 20 T 2 5 1 -4.13380E-01 21 T 1 9 0 -3.88284E-01 22 C 3 0 0 -3.64776E-01 23 T 1 9 2 -3.30023E-01 24 T 3 4 3 -3.18042E-01 25 T 1 10 0 -3.03374E-01 26 C 4 0 0 -2.80842E-01 27 T 1 10 2 -2.64569E-01 3 2 0 24 1 0.000000E+00 1 T 2 3 2 -2.43942E+00 2 T 1 4 1 -2.41129E+00 3 T 3 3 2 -2.29808E+00 4 T 4 3 2 -2.11145E+00 5 T 5 3 2 -1.95205E+00 6 T 3 4 0 -1.61477E+00 7 T 1 4 3 -1.55192E+00 8 T 1 5 1 -1.38646E+00 9 T 1 5 3 -1.01111E+00 10 T 1 6 1 -9.09439E-01 11 T 2 4 2 -8.51763E-01 12 T 6 4 0 -7.53260E-01 13 T 1 6 3 -7.02083E-01 14 T 3 4 2 -6.63206E-01 15 T 1 7 1 -6.33434E-01 16 T 1 7 3 -5.16290E-01 17 T 1 8 1 -4.73018E-01 18 T 1 8 3 -3.95373E-01 19 T 1 9 1 -3.66556E-01 20 T 3 5 0 -3.41591E-01 21 T 4 4 2 -3.17711E-01 22 T 1 9 3 -3.08068E-01 23 T 1 10 1 -2.90293E-01 24 T 1 10 3 -2.52321E-01 3 2 1 22 1 0.000000E+00 1 C 1 0 0 -4.42843E+00 2 T 1 3 2 -3.43761E+00 3 T 1 4 2 -1.86843E+00 4 T 2 4 1 -1.51850E+00 5 C 2 0 0 -1.41014E+00 6 T 1 5 2 -1.15715E+00 7 T 3 4 1 -1.11883E+00 8 T 7 3 2 -1.08529E+00 9 T 8 3 2 -8.08330E-01 10 T 1 6 2 -7.90746E-01 11 T 10 3 2 -7.78183E-01 12 T 5 4 1 -6.95238E-01 13 T 2 4 3 -5.68642E-01 14 T 1 7 2 -5.55880E-01 15 C 3 0 0 -4.75226E-01 16 T 1 8 2 -4.28673E-01 17 T 2 5 1 -4.05191E-01 18 T 3 4 3 -3.69427E-01 19 T 7 4 0 -3.62174E-01 20 T 1 9 2 -3.27003E-01 21 T 6 4 1 -2.94163E-01 22 T 1 10 2 -2.65589E-01 3 3 0 13 1 0.000000E+00 1 T 2 3 2 -2.85759E+00 2 T 3 3 2 -2.32343E+00 3 T 5 3 2 -2.11449E+00 4 T 6 3 2 -1.69598E+00 5 T 1 4 3 -1.50249E+00 6 T 1 5 3 -1.02341E+00 7 T 2 4 2 -9.04861E-01 8 T 1 6 3 -7.08811E-01 9 T 3 4 2 -6.65806E-01 10 T 1 7 3 -5.20420E-01 11 T 1 8 3 -3.97972E-01 12 T 1 9 3 -3.14147E-01 13 T 1 10 3 -2.54492E-01 3 3 1 23 1 0.000000E+00 1 T 1 3 2 -3.79741E+00 2 T 1 4 2 -1.86094E+00 3 C 1 0 0 -1.54292E+00 4 T 3 4 1 -1.20474E+00 5 T 1 5 2 -1.12597E+00 6 T 7 3 2 -1.07902E+00 7 T 1 5 4 -1.00092E+00 8 C 2 0 0 -7.94688E-01 9 T 1 6 2 -7.68659E-01 10 T 1 6 4 -6.96963E-01 11 T 2 4 3 -6.34782E-01 12 T 1 7 2 -5.59704E-01 13 C 3 0 0 -5.42504E-01 14 T 1 7 4 -5.12376E-01 15 T 1 8 2 -4.24813E-01 16 T 6 4 1 -3.96708E-01 17 T 1 8 4 -3.88545E-01 18 T 3 4 3 -3.58726E-01 19 T 1 9 2 -3.29736E-01 20 T 1 9 4 -3.10364E-01 21 T 2 5 3 -2.85586E-01 22 T 1 10 2 -2.66184E-01 23 T 1 10 4 -2.50916E-01 3 4 0 14 1 0.000000E+00 1 T 3 3 2 -2.53337E+00 2 T 1 4 3 -1.60425E+00 3 T 1 5 3 -1.02786E+00 4 T 1 6 3 -7.13391E-01 5 T 1 6 5 -6.94145E-01 6 T 3 4 2 -6.50366E-01 7 T 1 7 3 -5.21044E-01 8 T 1 7 5 -5.10217E-01 9 T 1 8 3 -3.98229E-01 10 T 1 8 5 -3.90697E-01 11 T 1 9 3 -3.14100E-01 12 T 1 9 5 -3.08720E-01 13 T 1 10 3 -2.54035E-01 14 T 1 10 5 -2.50073E-01 3 4 1 11 1 0.000000E+00 1 T 7 3 2 -1.43793E+00 2 T 1 5 4 -1.01658E+00 3 C 1 0 0 -7.54759E-01 4 T 1 6 4 -7.05189E-01 5 T 2 4 3 -5.95916E-01 6 T 1 7 4 -5.19616E-01 7 C 2 0 0 -4.98155E-01 8 T 3 4 3 -4.10414E-01 9 T 1 8 4 -3.91017E-01 10 T 1 9 4 -3.12287E-01 11 T 1 10 4 -2.53485E-01 3 5 0 5 1 0.000000E+00 1 T 1 6 5 -6.98277E-01 2 T 1 7 5 -5.12602E-01 3 T 1 8 5 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