--------------------------- 786 ------------------------------------------- Ref. "Electron-ion recombination rate coefficients for Si I, Si II, S II, S III, C II, and C-like ions C I, N II, O III, F IV, Ne V, Na VI, Mg VII, Al VIII, Si IX, and S XI", Sultana N. Nahar, Astrophys. J. Suppl. 101, 423 (1995) -------------------------------------------------------------------------- Mg 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 = 12, no of target/core electrons= 5 no of target/core states in WF = 23 target states and energies: 1 2s22p 2Po 0.00000E+00 2 2s2p2 4P 1.19996E+00 3 2s2p2 2D 2.11676E+00 4 2s2p2 2S 2.91656E+00 5 2s2p2 2P 2.91656E+00 6 2p3 4So 3.76909E+00 7 2p3 2Do 4.24445E+00 8 2p3 2Po 4.78213E+00 9 2s23s 2S 1.10326E+01 10 2s23p 2Po 1.15628E+01 11 2s23d 2D 1.23326E+01 12 2s2p3s 4Po 1.23326E+01 13 2s2p3s 2Po 1.30428E+01 14 2s2p3p 2P 1.30428E+01 15 2s2p3p 4D 1.30428E+01 16 2s2p3p 4S 1.30428E+01 17 2s2p3p 4P 1.30428E+01 18 2s2p3p 2D 1.35503E+01 19 2s2p3p 2S 1.35503E+01 20 2s2p3s 2Po 1.35503E+01 21 2s2p3p 2P 1.41847E+01 22 2s2p3p 2D 1.41847E+01 23 2s2p3p 2S 1.41847E+01 ------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------- Ion ground state = 30100600.0000, Eo(Ry) = -1.6555E+01 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 463 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) 2s2p2 (2P ) 3p z1So -3.56180 2p3 (2Do) 3d y1So -1.52505 2s2p2 (2P ) 4p x1So -0.53645 2s23s (2S ) 0s z1Po -12.89150 2s22p (2Po) 3s y1Po -6.91582 2s22p (2Po) 3d x1Po -5.49917 2s2p2 (2D ) 3p w1Po -4.14264 2s22p (2Po) 4s v1Po -3.64232 2s2p2 (2S ) 3p u1Po -3.55875 2s22p (2Po) 4d t1Po -3.08959 2s2p2 (2P ) 3p s1Po -3.05217 2s22p (2Po) 5s r1Po -2.22936 2s22p (2Po) 5d q1Po -1.97642 2p3 (2Po) 3s p1Po -1.95349 2s22p (2Po) 6s o1Po -1.51712 2p3 (2Do) 3d n1Po -1.39246 2s22p (2Po) 6d m1Po -1.37021 2s2p2 (2D ) 4p l1Po -1.19478 2s22p (2Po) 7s k1Po -1.09717 2s22p (2Po) 7d j1Po -1.00704 2s2p2 (2D ) 4f i1Po -0.95675 2s22p (2Po) 8s h1Po -0.83081 2s22p (2Po) 8d g1Po -0.77043 2s22p (2Po) 9s f1Po -0.65120 2s22p (2Po) 9d e1Po -0.60858 2s2p2 (2S ) 4p d1Po -0.56091 2s22p (2Po)10s c1Po -0.52369 2s22p (2Po)10d b1Po -0.49283 2p3 (2Do) 0s z1Do -13.31350 2s22p (2Po) 3d y1Do -5.79889 2s2p2 (2D ) 3p x1Do -4.26374 2s2p2 (2P ) 3p w1Do -3.21636 2s22p (2Po) 4d v1Do -3.19565 2p3 (2Do) 3s u1Do -2.50510 2s22p (2Po) 5d t1Do -2.03101 2s22p (2Po) 6d s1Do -1.40245 2p3 (2Do) 3d r1Do -1.31322 2s2p2 (2D ) 4p q1Do -1.22024 2s2p2 (2D ) 4f p1Do -1.03746 2s22p (2Po) 7d o1Do -1.02539 2s22p (2Po) 8d n1Do -0.78694 2s2p2 (2D ) 5f m1Do -0.77203 2s22p (2Po) 9d l1Do -0.61661 2s22p (2Po)10d k1Do -0.49857 2s22p (2Po) 3d z1Fo -5.51083 2s2p2 (2D ) 3p y1Fo -4.19287 2s22p (2Po) 4d x1Fo -3.09371 2s22p (2Po) 5d w1Fo -1.97801 2s22p (2Po) 5g v1Fo -1.96016 2s22p (2Po) 6d u1Fo -1.37340 2s22p (2Po) 6g t1Fo -1.36247 2s2p2 (2D ) 4p s1Fo -1.31378 2p3 (2Do) 3d r1Fo -1.20570 2s22p (2Po) 7d q1Fo -1.00728 2s22p (2Po) 7g p1Fo -1.00098 2s2p2 (2D ) 4f o1Fo -0.96036 2p3 (2Po) 3d n1Fo -0.77656 2s22p (2Po) 8d m1Fo -0.77029 2s22p (2Po) 8g l1Fo -0.75926 2s22p (2Po) 9d k1Fo -0.60845 2s22p (2Po) 9g j1Fo -0.60528 2s22p (2Po)10d i1Fo -0.49259 2s22p (2Po)10g h1Fo -0.49049 2s22p (2Po) 5g z1Go -1.96726 2p3 (2Do) 3d y1Go -1.52740 2s22p (2Po) 6g x1Go -1.36484 2s22p (2Po) 7g w1Go -1.00444 2s2p2 (2D ) 4f v1Go -0.93994 2s22p (2Po) 8g u1Go -0.76740 2s22p (2Po) 9g t1Go -0.60655 2s22p (2Po)10g s1Go -0.49139 2s22p (2Po) 5g z1Ho -1.96128 2s22p (2Po) 6g y1Ho -1.36289 2s22p (2Po) 7g x1Ho -1.00637 2s22p (2Po) 7i w1Ho -0.99994 2s2p2 (2D ) 4f v1Ho -0.93899 2s22p (2Po) 8i u1Ho -0.76557 2s22p (2Po) 8g t1Ho -0.76449 2s22p (2Po) 9i s1Ho -0.60491 2s22p (2Po) 9g r1Ho -0.60466 2s22p (2Po) 7i z1Io -1.00024 2s22p (2Po) 8i y1Io -0.76588 2s22p (2Po) 9i x1Io -0.60515 2s22p (2Po)10i w1Io -0.49017 2s22p (2Po) 7i z1Ko -0.99998 2s22p (2Po) 8i y1Ko -0.76561 2s22p (2Po) 9i x1Ko -0.60494 2s22p (2Po)10i w1Ko -0.49000 2s22p (2Po) 9l z1Lo -0.60494 2s22p (2Po)10l y1Lo -0.49000 2s22p (2Po) 9l z1Mo -0.60494 2s22p (2Po)10l y1Mo -0.49000 2s2p2 (2P ) 0s z3So -13.23650 2s2p2 (4P ) 3p y3So -5.36050 2s2p2 (2P ) 3p x3So -3.35014 2p3 (4So) 3s w3So -2.87892 2s2p2 (4P ) 4p v3So -2.20716 2p3 (2Do) 3d u3So -1.23420 2s2p2 (4P ) 5p t3So -0.94598 2s2p2 (2P ) 4p s3So -0.43562 2s2p2 (4P ) 6p r3So -0.26878 2p3 (2Po) 0s z3Po -14.03870 2s22p (2Po) 3s y3Po -7.02188 2s22p (2Po) 3d x3Po -5.64745 2s2p2 (4P ) 3p w3Po -4.97625 2s2p2 (2D ) 3p v3Po -4.09350 2s22p (2Po) 4s u3Po -3.69148 2s2p2 (2S ) 3p t3Po -3.55637 2s2p2 (2P ) 3p s3Po -3.36440 2s22p (2Po) 4d r3Po -3.15154 2s22p (2Po) 5s q3Po -2.24879 2s2p2 (4P ) 4p p3Po -2.13783 2p3 (2Po) 3s o3Po -2.01616 2s22p (2Po) 5d n3Po -2.00612 2s22p (2Po) 6s m3Po -1.52726 2s22p (2Po) 6d l3Po -1.38926 2p3 (2Do) 3d k3Po -1.31650 2s2p2 (2D ) 4p j3Po -1.22544 2s22p (2Po) 7s i3Po -1.09913 2s22p (2Po) 7d h3Po -1.01800 2s2p2 (2D ) 4f g3Po -1.01373 2s2p2 (4P ) 5p f3Po -0.87723 2s22p (2Po) 8s e3Po -0.83250 2s2p2 (2D ) 5f d3Po -0.80893 2s22p (2Po) 8d c3Po -0.77742 2s22p (2Po) 9s b3Po -0.65250 2p3 (2Po) 3d a3Po -0.61326 2s22p (2Po)10s Z3Po -0.52682 2s22p (2Po)10d Y3Po -0.49610 2p3 (4So) 0s z3Do -14.45200 2s22p (2Po) 3d y3Do -5.68664 2s2p2 (4P ) 3p x3Do -5.07947 2s2p2 (2D ) 3p w3Do -4.18149 2s2p2 (2P ) 3p v3Do -3.45680 2s22p (2Po) 4d u3Do -3.16106 2p3 (2Do) 3s t3Do -2.61671 2s2p2 (4P ) 4p s3Do -2.14361 2s22p (2Po) 5d r3Do -2.01108 2p3 (4So) 3d q3Do -2.00151 2s2p2 (4P ) 4f p3Do -1.75180 2p3 (2Do) 3d o3Do -1.41233 2s22p (2Po) 6d n3Do -1.39090 2s2p2 (2D ) 4p m3Do -1.26453 2s22p (2Po) 7d l3Do -1.01927 2s2p2 (2D ) 4f k3Do -0.98726 2s2p2 (4P ) 5p j3Do -0.89294 2s2p2 (2D ) 5f i3Do -0.81647 2s22p (2Po) 8d h3Do -0.77803 2s2p2 (4P ) 5f g3Do -0.75772 2s22p (2Po) 9d f3Do -0.61364 2s22p (2Po)10d e3Do -0.49670 2s22p (2Po) 3d z3Fo -5.79411 2s2p2 (2D ) 3p y3Fo -4.26774 2s22p (2Po) 4d x3Fo -3.20611 2s22p (2Po) 5d w3Fo -2.03275 2s22p (2Po) 5g v3Fo -1.96023 2s2p2 (4P ) 4f u3Fo -1.84884 2p3 (2Do) 3d t3Fo -1.56541 2s22p (2Po) 6d s3Fo -1.40319 2s22p (2Po) 6g r3Fo -1.36201 2s2p2 (2D ) 4p q3Fo -1.29068 2s22p (2Po) 7d p3Fo -1.02687 2p3 (2Po) 3d o3Fo -1.00701 2s22p (2Po) 7g n3Fo -0.99893 2s2p2 (2D ) 4f m3Fo -0.91508 2s22p (2Po) 8d l3Fo -0.78316 2s22p (2Po) 8g k3Fo -0.76596 2s2p2 (4P ) 5f j3Fo -0.75257 2s22p (2Po) 9d i3Fo -0.61709 2s22p (2Po) 9g h3Fo -0.60550 2s22p (2Po)10d g3Fo -0.49885 2s22p (2Po)10g f3Fo -0.49061 2s22p (2Po) 5g z3Go -1.96724 2s2p2 (4P ) 4f y3Go -1.87491 2p3 (2Do) 3d x3Go -1.53568 2s22p (2Po) 6g w3Go -1.36497 2s22p (2Po) 7g v3Go -1.00528 2s2p2 (2D ) 4f u3Go -0.95556 2s22p (2Po) 8g t3Go -0.76746 2s2p2 (4P ) 5f s3Go -0.76556 2s22p (2Po) 9g r3Go -0.60652 2s22p (2Po)10g q3Go -0.49137 2s22p (2Po) 5g z3Ho -1.96140 2s22p (2Po) 6g y3Ho -1.36307 2s22p (2Po) 7g x3Ho -1.00719 2s22p (2Po) 7i w3Ho -0.99994 2s2p2 (2D ) 4f v3Ho -0.94221 2s22p (2Po) 8i u3Ho -0.76557 2s22p (2Po) 8g t3Ho -0.76448 2s22p (2Po) 9i s3Ho -0.60491 2s22p (2Po) 9g r3Ho -0.60467 2s22p (2Po) 7i z3Io -1.00024 2s22p (2Po) 8i y3Io -0.76588 2s22p (2Po) 9i x3Io -0.60515 2s22p (2Po)10i w3Io -0.49017 2s22p (2Po) 7i z3Ko -0.99998 2s22p (2Po) 8i y3Ko -0.76561 2s22p (2Po) 9i x3Ko -0.60494 2s22p (2Po)10i w3Ko -0.49000 2s22p (2Po) 9l z3Lo -0.60494 2s22p (2Po)10l y3Lo -0.49000 2s22p (2Po) 9l z3Mo -0.60494 2s22p (2Po)10l y3Mo -0.49000 2s2p2 (2S ) 0s z5So -15.52590 2s2p2 (4P ) 3p y5So -5.03618 2p3 (4So) 3s x5So -3.17791 2s2p2 (4P ) 4p w5So -2.14576 2s2p2 (4P ) 5p v5So -0.90125 2s2p2 (4P ) 6p u5So -0.24244 2s2p2 (4P ) 3p z5Po -5.23047 2s2p2 (4P ) 4p y5Po -2.20478 2s2p2 (4P ) 5p x5Po -0.92832 2s2p2 (4P ) 6p w5Po -0.25699 2s2p2 (4P ) 3p z5Do -5.29222 2s2p2 (4P ) 4p y5Do -2.24545 2p3 (4So) 3d x5Do -2.11045 2s2p2 (4P ) 4f w5Do -1.82471 2s2p2 (4P ) 5p v5Do -0.93721 2s2p2 (4P ) 5f u5Do -0.76593 2s2p2 (4P ) 6p t5Do -0.26218 2s2p2 (4P ) 6f s5Do -0.16634 2s2p2 (4P ) 4f z5Fo -1.85537 2s2p2 (4P ) 5f y5Fo -0.75883 2s2p2 (4P ) 6f x5Fo -0.16136 2s2p2 (4P ) 4f z5Go -1.87931 2s2p2 (4P ) 5f y5Go -0.77032 2s2p2 (4P ) 6f x5Go -0.16768 2s2p2 (4P ) 6h w5Go -0.16208 2s2p2 (4P ) 6h z5Ho -0.16010 2s2p2 (4P ) 6h z5Io -0.16168 2s2p2 (2D ) 0s a1S -15.76210 2s2p3s (4Po) 0s b1S -10.46990 2s22p (2Po) 3p c1S -5.96995 2s2p2 (2S ) 3s d1S -4.05216 2s2p2 (2D ) 3d e1S -3.31112 2s22p (2Po) 4p f1S -3.22350 2s22p (2Po) 5p g1S -2.06073 2s22p (2Po) 6p h1S -1.42050 2s22p (2Po) 7p i1S -1.04236 2p3 (2Po) 3p j1S -1.03074 2s2p2 (2D ) 4d k1S -0.94659 2s22p (2Po) 8p l1S -0.78959 2s22p (2Po) 9p m1S -0.62225 2s2p2 (2S ) 4s n1S -0.61133 2s22p (2Po)10p o1S -0.50247 2s22p (2Po) 3p a1P -6.53372 2s2p2 (2P ) 3s b1P -3.93723 2s22p (2Po) 4p c1P -3.46829 2s2p2 (2D ) 3d d1P -3.35530 2s2p2 (2P ) 3d e1P -2.79146 2s22p (2Po) 5p f1P -2.15289 2p3 (2Do) 3p g1P -2.14177 2p3 (2Po) 3p h1P -1.49962 2s22p (2Po) 6p i1P -1.46670 2s22p (2Po) 7p j1P -1.06898 2s2p2 (2D ) 4d k1P -0.96435 2s22p (2Po) 8p l1P -0.81277 2s2p2 (2P ) 4s m1P -0.68444 2s22p (2Po) 9p n1P -0.62966 2s22p (2Po)10p o1P -0.51110 2s2p2 (4P ) 0s a1D -16.19030 2s23d (2D ) 0s b1D -11.28070 2s22p (2Po) 3p c1D -6.16550 2s2p2 (2D ) 3s d1D -4.66314 2s2p2 (2D ) 3d e1D -3.43374 2s22p (2Po) 4p f1D -3.32833 2s22p (2Po) 4f g1D -3.12072 2s2p2 (2S ) 3d h1D -2.84257 2p3 (2Do) 3p i1D -2.52112 2s22p (2Po) 5p j1D -2.09127 2s22p (2Po) 5f k1D -1.94707 2p3 (2Po) 3p l1D -1.75251 2s22p (2Po) 6p m1D -1.44509 2s2p2 (2D ) 4s n1D -1.41225 2s22p (2Po) 6f o1D -1.35835 2s2p2 (2D ) 5s p1D -1.33106 2s22p (2Po) 7p q1D -1.04866 2s22p (2Po) 7f r1D -0.99899 2s2p2 (2D ) 4d s1D -0.98458 2s22p (2Po) 8p t1D -0.79766 2s22p (2Po) 8f u1D -0.76523 2s22p (2Po) 9p v1D -0.62754 2s22p (2Po) 9f w1D -0.60503 2s2p2 (2S ) 4d x1D -0.50654 2s22p (2Po)10f y1D -0.49040 2s2p2 (2D ) 3d a1F -3.59224 2s22p (2Po) 4f b1F -3.11855 2s2p2 (2P ) 3d c1F -2.65190 2p3 (2Do) 3p d1F -2.06617 2s22p (2Po) 5f e1F -1.96011 2s22p (2Po) 6f f1F -1.36667 2s2p2 (2D ) 4d g1F -1.03000 2s22p (2Po) 7f h1F -1.00359 2s22p (2Po) 8f i1F -0.76922 2s22p (2Po) 9f j1F -0.60793 2s22p (2Po)10f k1F -0.49260 2s2p2 (2D ) 3d a1G -3.53573 2s22p (2Po) 4f b1G -3.05862 2s22p (2Po) 5f c1G -1.96203 2s22p (2Po) 6f d1G -1.36310 2s22p (2Po) 6h e1G -1.36085 2s2p2 (2D ) 4d f1G -1.02653 2s22p (2Po) 7h g1G -0.99998 2s22p (2Po) 7f h1G -0.99865 2s22p (2Po) 8f i1G -0.76626 2s22p (2Po) 8h j1G -0.76565 2s22p (2Po) 9f k1G -0.60545 2s22p (2Po) 9h l1G -0.60497 2s22p (2Po) 6h a1H -1.36258 2s22p (2Po) 7h b1H -1.00108 2s22p (2Po) 8h c1H -0.76638 2s22p (2Po) 9h d1H -0.60549 2s22p (2Po)10h e1H -0.49041 2s22p (2Po) 6h a1I -1.36114 2s22p (2Po) 7h b1I -1.00014 2s22p (2Po) 8h c1I -0.76579 2s22p (2Po) 8k d1I -0.76565 2s22p (2Po) 9h e1I -0.60507 2s22p (2Po) 9k f1I -0.60496 2s22p (2Po)10h g1I -0.48997 2s22p (2Po) 8k a1K -0.76565 2s22p (2Po) 9k b1K -0.60497 2s22p (2Po)10k c1K -0.49004 2s22p (2Po) 8k a1L -0.76562 2s22p (2Po) 9k b1L -0.60493 2s22p (2Po)10k c1L -0.49000 2s22p (2Po)10m a1M -0.49000 2s22p (2Po)10m a1N -0.49000 2s22p (2Po) 3p a3S -6.39177 2s2p2 (2S ) 3s b3S -4.22637 2s2p2 (2D ) 3d c3S -3.47207 2s22p (2Po) 4p d3S -3.34579 2s22p (2Po) 5p e3S -2.12732 2p3 (2Po) 3p f3S -1.57488 2s22p (2Po) 6p g3S -1.45796 2s22p (2Po) 7p h3S -1.06276 2s2p2 (2D ) 4d i3S -0.99706 2s22p (2Po) 8p j3S -0.80784 2s2p2 (2S ) 4s k3S -0.70689 2s22p (2Po) 9p l3S -0.62958 2s22p (2Po)10p m3S -0.50915 2s22p (2Po) 0s a3P -16.55480 2s23p (2Po) 0s b3P -11.58690 2s22p (2Po) 3p c3P -6.33896 2s2p2 (4P ) 3s d3P -5.55212 2s2p2 (4P ) 3d e3P -4.52330 2s2p2 (2P ) 3s f3P -3.99220 2s2p2 (2D ) 3d g3P -3.49316 2s22p (2Po) 4p h3P -3.36320 2s2p2 (2P ) 3d i3P -2.69825 2p3 (4So) 3p j3P -2.50870 2s2p2 (4P ) 4s k3P -2.34520 2s22p (2Po) 5p l3P -2.10678 2s2p2 (4P ) 4d m3P -1.94317 2p3 (2Do) 3p n3P -1.82481 2s22p (2Po) 6p o3P -1.45073 2p3 (2Po) 3p p3P -1.40441 2s22p (2Po) 7p q3P -1.06562 2s2p2 (2D ) 4d r3P -1.01403 2s2p2 (4P ) 5s s3P -0.99550 2s22p (2Po) 8p t3P -0.80248 2s2p2 (4P ) 5d u3P -0.79758 2s2p2 (2P ) 4s v3P -0.70010 2s22p (2Po) 9p w3P -0.62969 2s22p (2Po)10p x3P -0.50855 2s22p (2Po) 3p a3D -6.46582 2s2p2 (2D ) 3s b3D -4.85337 2s2p2 (4P ) 3d c3D -4.28282 2s2p2 (2D ) 3d d3D -3.59350 2s22p (2Po) 4p e3D -3.43123 2s22p (2Po) 4f f3D -3.14515 2s2p2 (2S ) 3d g3D -2.94556 2s2p2 (2P ) 3d h3D -2.74022 2p3 (2Do) 3p i3D -2.14486 2s22p (2Po) 5p j3D -2.13701 2s22p (2Po) 5f k3D -1.95200 2s2p2 (4P ) 4d l3D -1.85558 2s2p2 (2D ) 4s m3D -1.57210 2p3 (2Po) 3p n3D -1.48214 2s22p (2Po) 6p o3D -1.45080 2s22p (2Po) 6f p3D -1.35912 2s22p (2Po) 7p q3D -1.06649 2s2p2 (2D ) 4d r3D -1.04104 2s22p (2Po) 7f s3D -0.99934 2s22p (2Po) 8p t3D -0.80756 2s22p (2Po) 8f u3D -0.76713 2s2p2 (4P ) 5d v3D -0.75902 2s22p (2Po) 9p w3D -0.63443 2s22p (2Po) 9f x3D -0.60565 2s2p2 (2S ) 4d y3D -0.51160 2s22p (2Po)10f z3D -0.49095 2s2p2 (4P ) 3d a3F -4.44409 2s2p2 (2D ) 3d b3F -3.66879 2s22p (2Po) 4f c3F -3.14577 2s2p2 (2P ) 3d d3F -2.81854 2p3 (2Do) 3p e3F -2.09129 2s22p (2Po) 5f f3F -1.96584 2s2p2 (4P ) 4d g3F -1.90437 2s22p (2Po) 6f h3F -1.36692 2s2p2 (2D ) 4d i3F -1.08152 2s22p (2Po) 7f j3F -1.00299 2s2p2 (4P ) 5d k3F -0.78076 2s22p (2Po) 8f l3F -0.76637 2s2p2 (4P ) 5g m3F -0.76482 2s22p (2Po) 9f n3F -0.60743 2s22p (2Po)10f o3F -0.49229 2s2p2 (2D ) 3d a3G -3.67215 2s22p (2Po) 4f b3G -3.05627 2s22p (2Po) 5f c3G -1.96432 2s22p (2Po) 6f d3G -1.36612 2s22p (2Po) 6h e3G -1.36087 2s2p2 (2D ) 4d f3G -1.07868 2s22p (2Po) 7h g3G -0.99998 2s22p (2Po) 7f h3G -0.99765 2s22p (2Po) 8f i3G -0.76649 2s22p (2Po) 8h j3G -0.76565 2s2p2 (4P ) 5g k3G -0.75602 2s22p (2Po) 9f l3G -0.60581 2s22p (2Po) 9h m3G -0.60497 2s22p (2Po) 6h a3H -1.36258 2s22p (2Po) 7h b3H -1.00108 2s22p (2Po) 8h c3H -0.76638 2s2p2 (4P ) 5g d3H -0.76211 2s22p (2Po) 9h e3H -0.60549 2s22p (2Po)10h f3H -0.49041 2s22p (2Po) 6h a3I -1.36115 2s22p (2Po) 7h b3I -1.00014 2s22p (2Po) 8h c3I -0.76579 2s22p (2Po) 8k d3I -0.76565 2s22p (2Po) 9h e3I -0.60507 2s22p (2Po) 9k f3I -0.60496 2s22p (2Po)10h g3I -0.48997 2s22p (2Po) 8k a3K -0.76565 2s22p (2Po) 9k b3K -0.60497 2s22p (2Po)10k c3K -0.49004 2s22p (2Po) 8k a3L -0.76562 2s22p (2Po) 9k b3L -0.60493 2s22p (2Po)10k c3L -0.49000 2s22p (2Po)10m a3M -0.49000 2s22p (2Po)10m a3N -0.49000 2s2p2 (4P ) 3s a5P -5.86103 2s2p2 (4P ) 3d b5P -4.55002 2p3 (4So) 3p c5P -2.65000 2s2p2 (4P ) 4s d5P -2.43672 2s2p2 (4P ) 4d e5P -1.95846 2s2p2 (4P ) 5s f5P -1.04691 2s2p2 (4P ) 5d g5P -0.80918 2s2p2 (4P ) 6s h5P -0.32394 2s2p2 (4P ) 6d i5P -0.18994 2s2p2 (4P ) 3d a5D -4.62414 2s2p2 (4P ) 4d b5D -1.98993 2s2p2 (4P ) 5d c5D -0.82468 2s2p2 (4P ) 6d d5D -0.19873 2s2p2 (4P ) 3d a5F -4.70882 2s2p2 (4P ) 4d b5F -2.01801 2s2p2 (4P ) 5d c5F -0.83746 2s2p2 (4P ) 5g d5F -0.76484 2s2p2 (4P ) 6d e5F -0.20565 2s2p2 (4P ) 6g f5F -0.16436 2s2p2 (4P ) 5g a5G -0.75616 2s2p2 (4P ) 6g b5G -0.15923 2s2p2 (4P ) 5g a5H -0.76222 2s2p2 (4P ) 6g b5H -0.16235 -------------------------------------------------------------------------- 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 ------------------------------------------------------ 12 5 E 1 0 1 11 5 2.916562E+00 1 T 5 3 1 -3.56180E+00 2 T 7 3 2 -1.52505E+00 3 T 5 4 1 -5.36449E-01 4 T 5 5 1 7.59559E-01 5 T 7 4 2 1.05767E+00 6 T 5 6 1 1.44824E+00 7 T 5 7 1 1.84893E+00 8 T 5 8 1 2.10474E+00 9 T 7 5 2 2.21943E+00 10 T 5 9 1 2.28297E+00 11 T 5 10 1 2.40465E+00 1 1 1 25 1 0.000000E+00 1 C 9 0 0 -1.28915E+01 2 T 1 3 0 -6.91582E+00 3 T 1 3 2 -5.49917E+00 4 T 3 3 1 -4.14264E+00 5 T 1 4 0 -3.64232E+00 6 T 4 3 1 -3.55875E+00 7 T 1 4 2 -3.08959E+00 8 T 5 3 1 -3.05217E+00 9 T 1 5 0 -2.22936E+00 10 T 1 5 2 -1.97642E+00 11 T 8 3 0 -1.95349E+00 12 T 1 6 0 -1.51712E+00 13 T 7 3 2 -1.39246E+00 14 T 1 6 2 -1.37021E+00 15 T 3 4 1 -1.19478E+00 16 T 1 7 0 -1.09717E+00 17 T 1 7 2 -1.00704E+00 18 T 3 4 3 -9.56750E-01 19 T 1 8 0 -8.30810E-01 20 T 1 8 2 -7.70428E-01 21 T 1 9 0 -6.51198E-01 22 T 1 9 2 -6.08582E-01 23 T 4 4 1 -5.60906E-01 24 T 1 10 0 -5.23693E-01 25 T 1 10 2 -4.92835E-01 1 2 1 16 1 0.000000E+00 1 C 7 0 0 -1.33135E+01 2 T 1 3 2 -5.79889E+00 3 T 3 3 1 -4.26374E+00 4 T 5 3 1 -3.21636E+00 5 T 1 4 2 -3.19565E+00 6 T 7 3 0 -2.50510E+00 7 T 1 5 2 -2.03101E+00 8 T 1 6 2 -1.40245E+00 9 T 7 3 2 -1.31322E+00 10 T 3 4 1 -1.22024E+00 11 T 3 4 3 -1.03746E+00 12 T 1 7 2 -1.02539E+00 13 T 1 8 2 -7.86944E-01 14 T 3 5 3 -7.72026E-01 15 T 1 9 2 -6.16609E-01 16 T 1 10 2 -4.98574E-01 1 3 1 19 1 0.000000E+00 1 T 1 3 2 -5.51083E+00 2 T 3 3 1 -4.19287E+00 3 T 1 4 2 -3.09371E+00 4 T 1 5 2 -1.97801E+00 5 T 1 5 4 -1.96016E+00 6 T 1 6 2 -1.37340E+00 7 T 1 6 4 -1.36247E+00 8 T 3 4 1 -1.31378E+00 9 T 7 3 2 -1.20570E+00 10 T 1 7 2 -1.00728E+00 11 T 1 7 4 -1.00098E+00 12 T 3 4 3 -9.60358E-01 13 T 8 3 2 -7.76561E-01 14 T 1 8 2 -7.70291E-01 15 T 1 8 4 -7.59261E-01 16 T 1 9 2 -6.08452E-01 17 T 1 9 4 -6.05277E-01 18 T 1 10 2 -4.92588E-01 19 T 1 10 4 -4.90494E-01 1 4 1 8 1 0.000000E+00 1 T 1 5 4 -1.96726E+00 2 T 7 3 2 -1.52740E+00 3 T 1 6 4 -1.36484E+00 4 T 1 7 4 -1.00444E+00 5 T 3 4 3 -9.39941E-01 6 T 1 8 4 -7.67399E-01 7 T 1 9 4 -6.06552E-01 8 T 1 10 4 -4.91395E-01 1 5 1 9 1 0.000000E+00 1 T 1 5 4 -1.96128E+00 2 T 1 6 4 -1.36289E+00 3 T 1 7 4 -1.00637E+00 4 T 1 7 6 -9.99937E-01 5 T 3 4 3 -9.38991E-01 6 T 1 8 6 -7.65572E-01 7 T 1 8 4 -7.64490E-01 8 T 1 9 6 -6.04905E-01 9 T 1 9 4 -6.04655E-01 1 6 1 4 1 0.000000E+00 1 T 1 7 6 -1.00024E+00 2 T 1 8 6 -7.65878E-01 3 T 1 9 6 -6.05154E-01 4 T 1 10 6 -4.90174E-01 1 7 1 4 1 0.000000E+00 1 T 1 7 6 -9.99977E-01 2 T 1 8 6 -7.65612E-01 3 T 1 9 6 -6.04939E-01 4 T 1 10 6 -4.89998E-01 1 8 1 2 1 0.000000E+00 1 T 1 9 8 -6.04940E-01 2 T 1 10 8 -4.90003E-01 1 9 1 2 1 0.000000E+00 1 T 1 9 8 -6.04938E-01 2 T 1 10 8 -4.90001E-01 1 10 1 1 3 2.116757E+00 1 T 3 10 9 1.62676E+00 1 11 1 1 3 2.116757E+00 1 T 3 10 9 1.62676E+00 3 0 1 14 2 1.199957E+00 1 C 5 0 0 -1.32365E+01 2 T 2 3 1 -5.36050E+00 3 T 5 3 1 -3.35014E+00 4 T 6 3 0 -2.87892E+00 5 T 2 4 1 -2.20716E+00 6 T 7 3 2 -1.23420E+00 7 T 2 5 1 -9.45975E-01 8 T 5 4 1 -4.35620E-01 9 T 2 6 1 -2.68776E-01 10 T 2 7 1 1.22198E-01 11 T 6 4 0 2.39808E-01 12 T 2 8 1 3.96509E-01 13 T 2 9 1 5.66454E-01 14 T 2 10 1 6.88642E-01 3 1 1 28 1 0.000000E+00 1 C 8 0 0 -1.40387E+01 2 T 1 3 0 -7.02188E+00 3 T 1 3 2 -5.64745E+00 4 T 2 3 1 -4.97625E+00 5 T 3 3 1 -4.09350E+00 6 T 1 4 0 -3.69148E+00 7 T 4 3 1 -3.55637E+00 8 T 5 3 1 -3.36440E+00 9 T 1 4 2 -3.15154E+00 10 T 1 5 0 -2.24879E+00 11 T 2 4 1 -2.13783E+00 12 T 8 3 0 -2.01616E+00 13 T 1 5 2 -2.00612E+00 14 T 1 6 0 -1.52726E+00 15 T 1 6 2 -1.38926E+00 16 T 7 3 2 -1.31650E+00 17 T 3 4 1 -1.22544E+00 18 T 1 7 0 -1.09913E+00 19 T 1 7 2 -1.01800E+00 20 T 3 4 3 -1.01373E+00 21 T 2 5 1 -8.77228E-01 22 T 1 8 0 -8.32504E-01 23 T 3 5 3 -8.08927E-01 24 T 1 8 2 -7.77425E-01 25 T 1 9 0 -6.52496E-01 26 T 8 3 2 -6.13260E-01 27 T 1 10 0 -5.26821E-01 28 T 1 10 2 -4.96097E-01 3 2 1 22 1 0.000000E+00 1 C 6 0 0 -1.44520E+01 2 T 1 3 2 -5.68664E+00 3 T 2 3 1 -5.07947E+00 4 T 3 3 1 -4.18149E+00 5 T 5 3 1 -3.45680E+00 6 T 1 4 2 -3.16106E+00 7 T 7 3 0 -2.61671E+00 8 T 2 4 1 -2.14361E+00 9 T 1 5 2 -2.01108E+00 10 T 6 3 2 -2.00151E+00 11 T 2 4 3 -1.75180E+00 12 T 7 3 2 -1.41233E+00 13 T 1 6 2 -1.39090E+00 14 T 3 4 1 -1.26453E+00 15 T 1 7 2 -1.01927E+00 16 T 3 4 3 -9.87263E-01 17 T 2 5 1 -8.92943E-01 18 T 3 5 3 -8.16469E-01 19 T 1 8 2 -7.78031E-01 20 T 2 5 3 -7.57716E-01 21 T 1 9 2 -6.13640E-01 22 T 1 10 2 -4.96704E-01 3 3 1 21 1 0.000000E+00 1 T 1 3 2 -5.79411E+00 2 T 3 3 1 -4.26774E+00 3 T 1 4 2 -3.20611E+00 4 T 1 5 2 -2.03275E+00 5 T 1 5 4 -1.96023E+00 6 T 2 4 3 -1.84884E+00 7 T 7 3 2 -1.56541E+00 8 T 1 6 2 -1.40319E+00 9 T 1 6 4 -1.36201E+00 10 T 3 4 1 -1.29068E+00 11 T 1 7 2 -1.02687E+00 12 T 8 3 2 -1.00701E+00 13 T 1 7 4 -9.98933E-01 14 T 3 4 3 -9.15077E-01 15 T 1 8 2 -7.83163E-01 16 T 1 8 4 -7.65959E-01 17 T 2 5 3 -7.52565E-01 18 T 1 9 2 -6.17095E-01 19 T 1 9 4 -6.05497E-01 20 T 1 10 2 -4.98851E-01 21 T 1 10 4 -4.90609E-01 3 4 1 10 1 0.000000E+00 1 T 1 5 4 -1.96724E+00 2 T 2 4 3 -1.87491E+00 3 T 7 3 2 -1.53568E+00 4 T 1 6 4 -1.36497E+00 5 T 1 7 4 -1.00528E+00 6 T 3 4 3 -9.55559E-01 7 T 1 8 4 -7.67458E-01 8 T 2 5 3 -7.65556E-01 9 T 1 9 4 -6.06517E-01 10 T 1 10 4 -4.91367E-01 3 5 1 9 1 0.000000E+00 1 T 1 5 4 -1.96140E+00 2 T 1 6 4 -1.36307E+00 3 T 1 7 4 -1.00719E+00 4 T 1 7 6 -9.99937E-01 5 T 3 4 3 -9.42210E-01 6 T 1 8 6 -7.65572E-01 7 T 1 8 4 -7.64480E-01 8 T 1 9 6 -6.04905E-01 9 T 1 9 4 -6.04669E-01 3 6 1 4 1 0.000000E+00 1 T 1 7 6 -1.00024E+00 2 T 1 8 6 -7.65878E-01 3 T 1 9 6 -6.05154E-01 4 T 1 10 6 -4.90174E-01 3 7 1 4 1 0.000000E+00 1 T 1 7 6 -9.99978E-01 2 T 1 8 6 -7.65612E-01 3 T 1 9 6 -6.04937E-01 4 T 1 10 6 -4.89998E-01 3 8 1 2 1 0.000000E+00 1 T 1 9 8 -6.04940E-01 2 T 1 10 8 -4.90003E-01 3 9 1 2 1 0.000000E+00 1 T 1 9 8 -6.04938E-01 2 T 1 10 8 -4.90001E-01 3 10 1 1 2 1.199957E+00 1 T 2 10 9 7.09957E-01 3 11 1 1 3 2.116757E+00 1 T 3 10 9 1.62676E+00 5 0 1 11 2 1.199957E+00 1 C 4 0 0 -1.55259E+01 2 T 2 3 1 -5.03618E+00 3 T 6 3 0 -3.17791E+00 4 T 2 4 1 -2.14576E+00 5 T 2 5 1 -9.01251E-01 6 T 2 6 1 -2.42437E-01 7 T 2 7 1 1.43574E-01 8 T 6 4 0 1.61710E-01 9 T 2 8 1 4.00887E-01 10 T 2 9 1 5.71602E-01 11 T 2 10 1 6.92945E-01 5 1 1 8 2 1.199957E+00 1 T 2 3 1 -5.23047E+00 2 T 2 4 1 -2.20478E+00 3 T 2 5 1 -9.28322E-01 4 T 2 6 1 -2.56995E-01 5 T 2 7 1 1.40423E-01 6 T 2 8 1 3.94876E-01 7 T 2 9 1 5.67533E-01 8 T 2 10 1 6.90044E-01 5 2 1 17 2 1.199957E+00 1 T 2 3 1 -5.29222E+00 2 T 2 4 1 -2.24545E+00 3 T 6 3 2 -2.11045E+00 4 T 2 4 3 -1.82471E+00 5 T 2 5 1 -9.37207E-01 6 T 2 5 3 -7.65933E-01 7 T 2 6 1 -2.62178E-01 8 T 2 6 3 -1.66341E-01 9 T 2 7 1 1.37047E-01 10 T 2 7 3 1.95829E-01 11 T 2 8 1 3.92278E-01 12 T 2 8 3 4.30257E-01 13 T 2 9 1 5.59366E-01 14 T 6 4 2 5.74371E-01 15 T 2 9 3 6.01399E-01 16 T 2 10 1 6.89492E-01 17 T 2 10 3 7.09862E-01 5 3 1 7 2 1.199957E+00 1 T 2 4 3 -1.85537E+00 2 T 2 5 3 -7.58831E-01 3 T 2 6 3 -1.61360E-01 4 T 2 7 3 1.99619E-01 5 T 2 8 3 4.34029E-01 6 T 2 9 3 5.94767E-01 7 T 2 10 3 7.09751E-01 5 4 1 12 2 1.199957E+00 1 T 2 4 3 -1.87931E+00 2 T 2 5 3 -7.70321E-01 3 T 2 6 3 -1.67677E-01 4 T 2 6 5 -1.62076E-01 5 T 2 7 3 1.95723E-01 6 T 2 7 5 1.99252E-01 7 T 2 8 3 4.31436E-01 8 T 2 8 5 4.33832E-01 9 T 2 9 3 5.92950E-01 10 T 2 9 5 5.94659E-01 11 T 2 10 3 7.08429E-01 12 T 2 10 5 7.09690E-01 5 5 1 4 2 1.199957E+00 1 T 2 6 5 -1.60100E-01 2 T 2 7 5 2.00596E-01 3 T 2 8 5 4.34747E-01 4 T 2 9 5 5.95313E-01 5 6 1 7 2 1.199957E+00 1 T 2 6 5 -1.61675E-01 2 T 2 7 5 1.99564E-01 3 T 2 8 5 4.34037E-01 4 T 2 8 7 4.34341E-01 5 T 2 9 5 5.94806E-01 6 T 2 9 7 5.95024E-01 7 T 2 10 5 7.09958E-01 5 7 1 2 2 1.199957E+00 1 T 2 8 7 4.34352E-01 2 T 2 9 7 5.95048E-01 5 8 1 3 2 1.199957E+00 1 T 2 8 7 4.34321E-01 2 T 2 9 7 5.95004E-01 3 T 2 10 9 7.09957E-01 5 10 1 1 2 1.199957E+00 1 T 2 10 9 7.09957E-01 1 0 0 15 1 0.000000E+00 1 C 3 0 0 -1.57621E+01 2 C 12 0 0 -1.04699E+01 3 T 1 3 1 -5.96995E+00 4 T 4 3 0 -4.05216E+00 5 T 3 3 2 -3.31112E+00 6 T 1 4 1 -3.22350E+00 7 T 1 5 1 -2.06073E+00 8 T 1 6 1 -1.42050E+00 9 T 1 7 1 -1.04236E+00 10 T 8 3 1 -1.03074E+00 11 T 3 4 2 -9.46586E-01 12 T 1 8 1 -7.89593E-01 13 T 1 9 1 -6.22249E-01 14 T 4 4 0 -6.11327E-01 15 T 1 10 1 -5.02473E-01 1 1 0 15 1 0.000000E+00 1 T 1 3 1 -6.53372E+00 2 T 5 3 0 -3.93723E+00 3 T 1 4 1 -3.46829E+00 4 T 3 3 2 -3.35530E+00 5 T 5 3 2 -2.79146E+00 6 T 1 5 1 -2.15289E+00 7 T 7 3 1 -2.14177E+00 8 T 8 3 1 -1.49962E+00 9 T 1 6 1 -1.46670E+00 10 T 1 7 1 -1.06898E+00 11 T 3 4 2 -9.64350E-01 12 T 1 8 1 -8.12773E-01 13 T 5 4 0 -6.84440E-01 14 T 1 9 1 -6.29662E-01 15 T 1 10 1 -5.11104E-01 1 2 0 25 1 0.000000E+00 1 C 2 0 0 -1.61903E+01 2 C 11 0 0 -1.12807E+01 3 T 1 3 1 -6.16550E+00 4 T 3 3 0 -4.66314E+00 5 T 3 3 2 -3.43374E+00 6 T 1 4 1 -3.32833E+00 7 T 1 4 3 -3.12072E+00 8 T 4 3 2 -2.84257E+00 9 T 7 3 1 -2.52112E+00 10 T 1 5 1 -2.09127E+00 11 T 1 5 3 -1.94707E+00 12 T 8 3 1 -1.75251E+00 13 T 1 6 1 -1.44509E+00 14 T 3 4 0 -1.41225E+00 15 T 1 6 3 -1.35835E+00 16 T 3 5 0 -1.33106E+00 17 T 1 7 1 -1.04866E+00 18 T 1 7 3 -9.98989E-01 19 T 3 4 2 -9.84585E-01 20 T 1 8 1 -7.97663E-01 21 T 1 8 3 -7.65230E-01 22 T 1 9 1 -6.27542E-01 23 T 1 9 3 -6.05031E-01 24 T 4 4 2 -5.06544E-01 25 T 1 10 3 -4.90398E-01 1 3 0 11 1 0.000000E+00 1 T 3 3 2 -3.59224E+00 2 T 1 4 3 -3.11855E+00 3 T 5 3 2 -2.65190E+00 4 T 7 3 1 -2.06617E+00 5 T 1 5 3 -1.96011E+00 6 T 1 6 3 -1.36667E+00 7 T 3 4 2 -1.03000E+00 8 T 1 7 3 -1.00359E+00 9 T 1 8 3 -7.69222E-01 10 T 1 9 3 -6.07933E-01 11 T 1 10 3 -4.92600E-01 1 4 0 12 1 0.000000E+00 1 T 3 3 2 -3.53573E+00 2 T 1 4 3 -3.05862E+00 3 T 1 5 3 -1.96203E+00 4 T 1 6 3 -1.36310E+00 5 T 1 6 5 -1.36085E+00 6 T 3 4 2 -1.02653E+00 7 T 1 7 5 -9.99977E-01 8 T 1 7 3 -9.98648E-01 9 T 1 8 3 -7.66264E-01 10 T 1 8 5 -7.65648E-01 11 T 1 9 3 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