--------------------------- 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) -------------------------------------------------------------------------- Na VI : 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 = 11, 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 1.05818E+00 3 2s2p2 2D 1.87198E+00 4 2s2p2 2S 2.59482E+00 5 2s2p2 2P 2.59482E+00 6 2p3 4So 3.34699E+00 7 2p3 2Do 3.75756E+00 8 2p3 2Po 4.23811E+00 9 2s23s 2S 8.66934E+00 10 2s23p 2Po 9.18940E+00 11 2s23d 2D 9.66537E+00 12 2s2p3s 4Po 1.00618E+01 13 2s2p3s 2Po 1.00618E+01 14 2s2p3p 2P 1.05308E+01 15 2s2p3p 4D 1.05308E+01 16 2s2p3p 4S 1.05308E+01 17 2s2p3p 4P 1.05308E+01 18 2s2p3p 2D 1.05308E+01 19 2s2p3p 2S 1.05308E+01 20 2s2p3s 2Po 1.09196E+01 21 2s2p3p 2P 1.14718E+01 22 2s2p3p 2D 1.14718E+01 23 2s2p3p 2S 1.14718E+01 ------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) ------------------------------------------------------------------------- Ion ground state = 30100600.0000, Eo(Ry) = -1.2679E+01 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 428 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 -2.25564 2p3 (2Do) 3d y1So -0.48485 2s23s (2S ) 0s z1Po -9.42697 2s22p (2Po) 3s y1Po -5.24904 2s22p (2Po) 3d x1Po -4.03900 2s2p2 (2D ) 3p w1Po -2.80278 2s22p (2Po) 4s v1Po -2.72269 2s2p2 (2S ) 3p u1Po -2.30002 2s22p (2Po) 4d t1Po -2.24299 2s2p2 (2P ) 3p s1Po -1.85749 2s22p (2Po) 5s r1Po -1.64862 2s22p (2Po) 5d q1Po -1.45045 2s22p (2Po) 6s p1Po -1.12795 2s22p (2Po) 6d o1Po -1.00688 2p3 (2Po) 3s n1Po -0.86535 2s22p (2Po) 7s m1Po -0.81476 2s22p (2Po) 7d l1Po -0.73940 2s22p (2Po) 8s k1Po -0.61623 2s2p2 (2D ) 4p j1Po -0.57946 2s22p (2Po) 8d i1Po -0.56562 2s22p (2Po) 9s h1Po -0.48184 2s22p (2Po) 9d g1Po -0.44687 2s2p2 (2D ) 4f f1Po -0.39439 2s22p (2Po)10s e1Po -0.38698 2s22p (2Po)10d d1Po -0.36192 2p3 (2Do) 0s z1Do -9.80677 2s22p (2Po) 3d y1Do -4.28054 2s2p2 (2D ) 3p x1Do -2.90074 2s22p (2Po) 4d w1Do -2.36323 2s2p2 (2P ) 3p v1Do -1.96028 2s22p (2Po) 5d u1Do -1.49506 2p3 (2Do) 3s t1Do -1.34653 2s22p (2Po) 6d s1Do -1.03208 2s22p (2Po) 7d r1Do -0.75513 2s2p2 (2D ) 4p q1Do -0.62434 2s22p (2Po) 8d p1Do -0.57569 2s22p (2Po) 9d o1Do -0.45392 2s2p2 (2D ) 4f n1Do -0.40899 2s22p (2Po)10d m1Do -0.36693 2s22p (2Po) 3d z1Fo -4.05136 2s2p2 (2D ) 3p y1Fo -2.84364 2s22p (2Po) 4d x1Fo -2.27410 2s22p (2Po) 5d w1Fo -1.45205 2s22p (2Po) 5g v1Fo -1.43993 2s22p (2Po) 6d u1Fo -1.00779 2s22p (2Po) 6g t1Fo -1.00044 2s22p (2Po) 7d s1Fo -0.74028 2s22p (2Po) 7g r1Fo -0.73518 2s2p2 (2D ) 4p q1Fo -0.65303 2s22p (2Po) 8d p1Fo -0.56581 2s22p (2Po) 8g o1Fo -0.56297 2s22p (2Po) 9d n1Fo -0.44702 2s22p (2Po) 9g m1Fo -0.44557 2s2p2 (2D ) 4f l1Fo -0.43337 2s22p (2Po)10d k1Fo -0.36189 2s22p (2Po)10g j1Fo -0.36019 2s22p (2Po) 5g z1Go -1.44494 2s22p (2Po) 6g y1Go -1.00336 2s22p (2Po) 7g x1Go -0.73730 2s22p (2Po) 8g w1Go -0.56709 2s2p2 (2D ) 4f v1Go -0.53893 2s22p (2Po) 9g u1Go -0.44495 2s22p (2Po)10g t1Go -0.36070 2s22p (2Po) 5g z1Ho -1.44077 2s22p (2Po) 6g y1Ho -1.00093 2s22p (2Po) 7g x1Ho -0.73563 2s22p (2Po) 7i w1Ho -0.73466 2s22p (2Po) 8g v1Ho -0.56356 2s22p (2Po) 8i u1Ho -0.56247 2s22p (2Po) 9g t1Ho -0.44621 2s22p (2Po) 9i s1Ho -0.44442 2s2p2 (2D ) 4f r1Ho -0.37946 2s22p (2Po) 7i z1Io -0.73476 2s22p (2Po) 8i y1Io -0.56258 2s22p (2Po) 9i x1Io -0.44453 2s22p (2Po)10i w1Io -0.36007 2s22p (2Po) 7i z1Ko -0.73469 2s22p (2Po) 8i y1Ko -0.56249 2s22p (2Po) 9i x1Ko -0.44444 2s22p (2Po)10i w1Ko -0.36000 2s22p (2Po) 9l z1Lo -0.44445 2s22p (2Po)10l y1Lo -0.36000 2s22p (2Po) 9l z1Mo -0.44444 2s22p (2Po)10l y1Mo -0.36000 2s2p2 (2P ) 0s z3So -9.72342 2s2p2 (4P ) 3p y3So -3.87707 2s2p2 (2P ) 3p x3So -2.07079 2p3 (4So) 3s w3So -1.72025 2s2p2 (4P ) 4p v3So -1.42864 2s2p2 (4P ) 5p u3So -0.53257 2p3 (2Do) 3d t3So -0.24811 2s2p2 (4P ) 6p s3So -0.03108 2p3 (2Po) 0s z3Po -10.45340 2s22p (2Po) 3s y3Po -5.34136 2s22p (2Po) 3d x3Po -4.15545 2s2p2 (4P ) 3p w3Po -3.54776 2s2p2 (2D ) 3p v3Po -2.81978 2s22p (2Po) 4s u3Po -2.68852 2s22p (2Po) 4d t3Po -2.32305 2s2p2 (2S ) 3p s3Po -2.29187 2s2p2 (2P ) 3p r3Po -2.10667 2s22p (2Po) 5s q3Po -1.67648 2s22p (2Po) 5d p3Po -1.47630 2s2p2 (4P ) 4p o3Po -1.39336 2s22p (2Po) 6s n3Po -1.13603 2s22p (2Po) 6d m3Po -1.02133 2p3 (2Po) 3s l3Po -0.92033 2s22p (2Po) 7s k3Po -0.82058 2s22p (2Po) 7d j3Po -0.74841 2s2p2 (2D ) 4p i3Po -0.63651 2s22p (2Po) 8s h3Po -0.60943 2s22p (2Po) 8d g3Po -0.57175 2s22p (2Po) 9s f3Po -0.48558 2s2p2 (4P ) 5p e3Po -0.46776 2s22p (2Po) 9d d3Po -0.45082 2s22p (2Po)10s c3Po -0.38792 2s2p2 (2D ) 4f b3Po -0.38549 2s22p (2Po)10d a3Po -0.36474 2p3 (4So) 0s z3Do -10.82340 2s22p (2Po) 3d y3Do -4.19086 2s2p2 (4P ) 3p x3Do -3.63636 2s2p2 (2D ) 3p w3Do -2.83685 2s22p (2Po) 4d v3Do -2.33179 2s2p2 (2P ) 3p u3Do -2.16423 2s2p2 (4P ) 4p t3Do -1.48299 2s22p (2Po) 5d s3Do -1.47697 2p3 (2Do) 3s r3Do -1.36603 2s2p2 (4P ) 4f q3Do -1.23231 2s22p (2Po) 6d p3Do -1.02274 2p3 (4So) 3d o3Do -0.79116 2s22p (2Po) 7d n3Do -0.74916 2s2p2 (2D ) 4p m3Do -0.65980 2s22p (2Po) 8d l3Do -0.57236 2s2p2 (4P ) 5p k3Do -0.48833 2s22p (2Po) 9d j3Do -0.45140 2s2p2 (2D ) 4f i3Do -0.44027 2s2p2 (4P ) 5f h3Do -0.37694 2s22p (2Po)10d g3Do -0.36500 2s22p (2Po) 3d z3Fo -4.27688 2s2p2 (2D ) 3p y3Fo -2.90790 2s22p (2Po) 4d x3Fo -2.36573 2s22p (2Po) 5d w3Fo -1.49744 2s22p (2Po) 5g v3Fo -1.43995 2s2p2 (4P ) 4f u3Fo -1.18083 2s22p (2Po) 6d t3Fo -1.03324 2s22p (2Po) 6g s3Fo -1.00047 2s22p (2Po) 7d r3Fo -0.75582 2s22p (2Po) 7g q3Fo -0.73524 2s2p2 (2D ) 4p p3Fo -0.67766 2s22p (2Po) 8d o3Fo -0.57651 2s22p (2Po) 8g n3Fo -0.56327 2s2p2 (2D ) 4f m3Fo -0.53811 2s22p (2Po) 9d l3Fo -0.45432 2s22p (2Po) 9g k3Fo -0.44474 2s2p2 (4P ) 5f j3Fo -0.37781 2s22p (2Po)10d i3Fo -0.36718 2s22p (2Po)10g h3Fo -0.36035 2s22p (2Po) 5g z3Go -1.44493 2s2p2 (4P ) 4f y3Go -1.20105 2s22p (2Po) 6g x3Go -1.00334 2s22p (2Po) 7g w3Go -0.73726 2s22p (2Po) 8g v3Go -0.56620 2s2p2 (2D ) 4f u3Go -0.52991 2s22p (2Po) 9g t3Go -0.44498 2s2p2 (4P ) 5f s3Go -0.38634 2s22p (2Po)10g r3Go -0.36156 2s22p (2Po) 5g z3Ho -1.44084 2s22p (2Po) 6g y3Ho -1.00101 2s22p (2Po) 7g x3Ho -0.73572 2s22p (2Po) 7i w3Ho -0.73466 2s22p (2Po) 8g v3Ho -0.56366 2s22p (2Po) 8i u3Ho -0.56247 2s22p (2Po) 9g t3Ho -0.44641 2s22p (2Po) 9i s3Ho -0.44442 2s2p2 (2D ) 4f r3Ho -0.38185 2s22p (2Po) 7i z3Io -0.73476 2s22p (2Po) 8i y3Io -0.56258 2s22p (2Po) 9i x3Io -0.44453 2s22p (2Po)10i w3Io -0.36007 2s22p (2Po) 7i z3Ko -0.73469 2s22p (2Po) 8i y3Ko -0.56249 2s22p (2Po) 9i x3Ko -0.44444 2s22p (2Po)10i w3Ko -0.36000 2s22p (2Po) 9l z3Lo -0.44445 2s22p (2Po)10l y3Lo -0.36000 2s22p (2Po) 9l z3Mo -0.44444 2s22p (2Po)10l y3Mo -0.36000 2s2p2 (2S ) 0s z5So -11.77130 2s2p2 (4P ) 3p y5So -3.60104 2p3 (4So) 3s x5So -1.91283 2s2p2 (4P ) 4p w5So -1.42805 2s2p2 (4P ) 5p v5So -0.49643 2s2p2 (4P ) 6p u5So -0.00768 2s2p2 (4P ) 3p z5Po -3.76596 2s2p2 (4P ) 4p y5Po -1.47931 2s2p2 (4P ) 5p x5Po -0.52157 2s2p2 (4P ) 6p w5Po -0.02109 2s2p2 (4P ) 3p z5Do -3.81943 2s2p2 (4P ) 4p y5Do -1.50082 2s2p2 (4P ) 4f x5Do -1.24059 2p3 (4So) 3d w5Do -0.93183 2s2p2 (4P ) 5p v5Do -0.52771 2s2p2 (4P ) 5f u5Do -0.38159 2s2p2 (4P ) 6p t5Do -0.02515 2s2p2 (4P ) 4f z5Fo -1.18534 2s2p2 (4P ) 5f y5Fo -0.38059 2s2p2 (4P ) 4f z5Go -1.20453 2s2p2 (4P ) 5f y5Go -0.38935 2s2p2 (2D ) 0s a1S -11.97590 2s2p3s (4Po) 0s b1S -7.29400 2s22p (2Po) 3p c1S -4.44256 2s2p2 (2S ) 3s d1S -2.70153 2s22p (2Po) 4p e1S -2.41605 2s2p2 (2D ) 3d f1S -2.05869 2s22p (2Po) 5p g1S -1.52096 2s22p (2Po) 6p h1S -1.04734 2s22p (2Po) 7p i1S -0.76479 2s22p (2Po) 8p j1S -0.58291 2s22p (2Po) 9p k1S -0.45921 2s2p2 (2D ) 4d l1S -0.38013 2s22p (2Po)10p m1S -0.36642 2s22p (2Po) 3p a1P -4.92187 2s2p2 (2P ) 3s b1P -2.66192 2s22p (2Po) 4p c1P -2.48471 2s2p2 (2D ) 3d d1P -2.15691 2s2p2 (2P ) 3d e1P -1.62362 2s22p (2Po) 5p f1P -1.57102 2s22p (2Po) 6p g1P -1.08865 2p3 (2Do) 3p h1P -1.02310 2s22p (2Po) 7p i1P -0.79041 2s22p (2Po) 8p j1P -0.60009 2s22p (2Po) 9p k1P -0.47322 2s2p2 (2P ) 4s l1P -0.45346 2s2p2 (2D ) 4d m1P -0.38879 2s22p (2Po)10p n1P -0.37761 2s2p2 (4P ) 0s a1D -12.35790 2s23d (2D ) 0s b1D -8.02194 2s22p (2Po) 3p c1D -4.60728 2s2p2 (2D ) 3s d1D -3.25066 2s22p (2Po) 4p e1D -2.47521 2s22p (2Po) 4f f1D -2.26567 2s2p2 (2D ) 3d g1D -2.18788 2s2p2 (2S ) 3d h1D -1.70334 2s22p (2Po) 5p i1D -1.55783 2s22p (2Po) 5f j1D -1.45286 2s2p2 (2P ) 3d k1D -1.35019 2s22p (2Po) 6p l1D -1.06229 2s22p (2Po) 6f m1D -0.99336 2s2p2 (2D ) 4s n1D -0.85654 2s22p (2Po) 7p o1D -0.77208 2s22p (2Po) 7f p1D -0.73224 2p3 (2Do) 3p q1D -0.60957 2s22p (2Po) 8p r1D -0.58832 2s22p (2Po) 8f s1D -0.56124 2s22p (2Po) 9p t1D -0.46297 2s22p (2Po) 9f u1D -0.44386 2s2p2 (2D ) 4d v1D -0.40764 2s22p (2Po)10p w1D -0.37308 2s2p2 (2D ) 3d a1F -2.36076 2s22p (2Po) 4f b1F -2.24734 2s2p2 (2P ) 3d c1F -1.55783 2s22p (2Po) 5f d1F -1.39873 2s22p (2Po) 6f e1F -1.00195 2p3 (2Do) 3p f1F -0.95371 2s22p (2Po) 7f g1F -0.73653 2s22p (2Po) 8f h1F -0.56440 2s22p (2Po) 9f i1F -0.44805 2s2p2 (2D ) 4d j1F -0.44192 2s22p (2Po)10f k1F -0.36115 2s2p2 (2D ) 3d a1G -2.31968 2s22p (2Po) 4f b1G -2.21154 2s22p (2Po) 5f c1G -1.44094 2s22p (2Po) 6f d1G -1.00120 2s22p (2Po) 6h e1G -0.99987 2s22p (2Po) 7f f1G -0.73571 2s22p (2Po) 7h g1G -0.73462 2s22p (2Po) 8f h1G -0.56344 2s22p (2Po) 8h i1G -0.56247 2s22p (2Po) 9f j1G -0.44877 2s22p (2Po) 9h k1G -0.44444 2s2p2 (2D ) 4d l1G -0.43778 2s22p (2Po) 6h a1H -1.00072 2s22p (2Po) 7h b1H -0.73535 2s22p (2Po) 8h c1H -0.56300 2s22p (2Po) 9h d1H -0.44483 2s22p (2Po)10h e1H -0.36029 2s22p (2Po) 6h a1I -1.00000 2s22p (2Po) 7h b1I -0.73473 2s22p (2Po) 8h c1I -0.56257 2s22p (2Po) 8k d1I -0.56251 2s22p (2Po) 9h e1I -0.44451 2s22p (2Po) 9k f1I -0.44445 2s22p (2Po)10h g1I -0.35998 2s22p (2Po) 8k a1K -0.56250 2s22p (2Po) 9k b1K -0.44445 2s22p (2Po)10k c1K -0.36001 2s22p (2Po) 8k a1L -0.56250 2s22p (2Po) 9k b1L -0.44444 2s22p (2Po)10k c1L -0.36000 2s22p (2Po)10m a1M -0.36000 2s22p (2Po)10m a1N -0.36000 2s22p (2Po) 3p a3S -4.79942 2s2p2 (2S ) 3s b3S -2.85587 2s22p (2Po) 4p c3S -2.53168 2s2p2 (2D ) 3d d3S -2.17422 2s22p (2Po) 5p e3S -1.57760 2s22p (2Po) 6p f3S -1.07933 2s22p (2Po) 7p g3S -0.78454 2s22p (2Po) 8p h3S -0.59599 2s2p2 (2S ) 4s i3S -0.51708 2s22p (2Po) 9p j3S -0.46842 2s2p2 (2D ) 4d k3S -0.41037 2s22p (2Po)10p l3S -0.37620 2s22p (2Po) 0s a3P -12.67900 2s23s (2S ) 0s b3P -8.28445 2s22p (2Po) 3p c3P -4.75225 2s2p2 (4P ) 3s d3P -4.04775 2s2p2 (4P ) 3d e3P -3.15781 2s2p2 (2P ) 3s f3P -2.63459 2s22p (2Po) 4p g3P -2.50614 2s2p2 (2D ) 3d h3P -2.23115 2s2p2 (4P ) 4s i3P -1.64328 2s22p (2Po) 5p j3P -1.55912 2s2p2 (2P ) 3d k3P -1.51322 2p3 (4So) 3p l3P -1.30780 2s2p2 (4P ) 4d m3P -1.24909 2s22p (2Po) 6p n3P -1.07152 2s22p (2Po) 7p o3P -0.78117 2p3 (2Do) 3p p3P -0.76507 2s22p (2Po) 8p q3P -0.60143 2s2p2 (4P ) 5s r3P -0.57456 2s22p (2Po) 9p s3P -0.46628 2s2p2 (2D ) 4d t3P -0.44303 2s2p2 (4P ) 5d u3P -0.40777 2s22p (2Po)10p v3P -0.37457 2s2p2 (2P ) 4s w3P -0.36318 2s22p (2Po) 3p a3D -4.86305 2s2p2 (2D ) 3s b3D -3.41266 2s2p2 (4P ) 3d c3D -2.96723 2s22p (2Po) 4p d3D -2.56184 2s2p2 (2D ) 3d e3D -2.32287 2s22p (2Po) 4f f3D -2.26806 2s2p2 (2S ) 3d g3D -1.78595 2s22p (2Po) 5p h3D -1.62750 2s2p2 (2P ) 3d i3D -1.55696 2s22p (2Po) 5f j3D -1.41102 2s2p2 (4P ) 4d k3D -1.18533 2s22p (2Po) 6p l3D -1.08492 2p3 (2Do) 3p m3D -1.02798 2s22p (2Po) 6f n3D -0.99478 2s2p2 (2D ) 4s o3D -0.85606 2s22p (2Po) 7p p3D -0.78419 2s22p (2Po) 7f q3D -0.73323 2s22p (2Po) 8p r3D -0.59708 2s22p (2Po) 8f s3D -0.56218 2s2p2 (2D ) 4d t3D -0.47586 2s22p (2Po) 9p u3D -0.46804 2s2p2 (2D ) 5d v3D -0.44891 2s22p (2Po) 9f w3D -0.44338 2s2p2 (4P ) 5d x3D -0.37868 2s22p (2Po)10p y3D -0.37686 2s2p2 (4P ) 3d a3F -3.09736 2s2p2 (2D ) 3d b3F -2.40795 2s22p (2Po) 4f c3F -2.27494 2s2p2 (2P ) 3d d3F -1.67450 2s22p (2Po) 5f e3F -1.42641 2s2p2 (4P ) 4d f3F -1.22861 2s22p (2Po) 6f g3F -1.00382 2p3 (2Do) 3p h3F -0.97202 2s22p (2Po) 7f i3F -0.73699 2s22p (2Po) 8f j3F -0.56501 2s2p2 (2D ) 4d k3F -0.49584 2s22p (2Po) 9f l3F -0.44571 2s2p2 (4P ) 5d m3F -0.38772 2s2p2 (4P ) 5g n3F -0.38499 2s22p (2Po)10f o3F -0.36035 2s2p2 (2D ) 3d a3G -2.41862 2s22p (2Po) 4f b3G -2.21840 2s22p (2Po) 5f c3G -1.44168 2s22p (2Po) 6f d3G -1.00252 2s22p (2Po) 6h e3G -0.99987 2s22p (2Po) 7f f3G -0.73720 2s22p (2Po) 7h g3G -0.73462 2s22p (2Po) 8f h3G -0.56583 2s22p (2Po) 8h i3G -0.56247 2s2p2 (2D ) 4d j3G -0.48436 2s22p (2Po) 9h k3G -0.44444 2s22p (2Po) 9f l3G -0.44207 2s2p2 (4P ) 5g m3G -0.37891 2s22p (2Po)10h n3G -0.36000 2s22p (2Po) 6h a3H -1.00072 2s22p (2Po) 7h b3H -0.73535 2s22p (2Po) 8h c3H -0.56300 2s22p (2Po) 9h d3H -0.44483 2s2p2 (4P ) 5g e3H -0.38331 2s22p (2Po)10h f3H -0.36029 2s22p (2Po) 6h a3I -1.00000 2s22p (2Po) 7h b3I -0.73473 2s22p (2Po) 8h c3I -0.56257 2s22p (2Po) 8k d3I -0.56251 2s22p (2Po) 9h e3I -0.44452 2s22p (2Po) 9k f3I -0.44445 2s22p (2Po)10h g3I -0.35998 2s22p (2Po) 8k a3K -0.56250 2s22p (2Po) 9k b3K -0.44445 2s22p (2Po)10k c3K -0.36001 2s22p (2Po) 8k a3L -0.56250 2s22p (2Po) 9k b3L -0.44444 2s22p (2Po)10k c3L -0.36000 2s22p (2Po)10m a3M -0.36000 2s22p (2Po)10m a3N -0.36000 2s2p2 (4P ) 3s a5P -4.30898 2s2p2 (4P ) 3d b5P -3.18294 2s2p2 (4P ) 4s c5P -1.69166 2p3 (4So) 3p d5P -1.44601 2s2p2 (4P ) 4d e5P -1.26632 2s2p2 (4P ) 5s f5P -0.62122 2s2p2 (4P ) 5d g5P -0.41927 2s2p2 (4P ) 6s h5P -0.07731 2s2p2 (4P ) 3d a5D -3.23896 2s2p2 (4P ) 4d b5D -1.29441 2s2p2 (4P ) 5d c5D -0.43293 2s2p2 (4P ) 3d a5F -3.31143 2s2p2 (4P ) 4d b5F -1.31804 2s2p2 (4P ) 5d c5F -0.44340 2s2p2 (4P ) 5g d5F -0.38507 2s2p2 (4P ) 5g a5G -0.37900 2s2p2 (4P ) 5g a5H -0.38338 --------------------------------------------------------------------------- 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 ------------------------------------------------------ 11 5 E 1 0 1 10 5 2.594820E+00 1 T 5 3 1 -2.25564E+00 2 T 7 3 2 -4.84854E-01 3 T 5 4 1 1.98605E-02 4 T 5 5 1 9.93308E-01 5 T 7 4 2 1.40018E+00 6 T 5 6 1 1.51037E+00 7 T 5 7 1 1.80463E+00 8 T 5 8 1 1.99500E+00 9 T 5 9 1 2.12391E+00 10 T 5 10 1 2.21465E+00 1 1 1 23 1 0.000000E+00 1 C 9 0 0 -9.42697E+00 2 T 1 3 0 -5.24904E+00 3 T 1 3 2 -4.03900E+00 4 T 3 3 1 -2.80278E+00 5 T 1 4 0 -2.72269E+00 6 T 4 3 1 -2.30002E+00 7 T 1 4 2 -2.24299E+00 8 T 5 3 1 -1.85749E+00 9 T 1 5 0 -1.64862E+00 10 T 1 5 2 -1.45045E+00 11 T 1 6 0 -1.12795E+00 12 T 1 6 2 -1.00688E+00 13 T 8 3 0 -8.65347E-01 14 T 1 7 0 -8.14760E-01 15 T 1 7 2 -7.39396E-01 16 T 1 8 0 -6.16227E-01 17 T 3 4 1 -5.79463E-01 18 T 1 8 2 -5.65620E-01 19 T 1 9 0 -4.81838E-01 20 T 1 9 2 -4.46868E-01 21 T 3 4 3 -3.94393E-01 22 T 1 10 0 -3.86976E-01 23 T 1 10 2 -3.61924E-01 1 2 1 14 1 0.000000E+00 1 C 7 0 0 -9.80677E+00 2 T 1 3 2 -4.28054E+00 3 T 3 3 1 -2.90074E+00 4 T 1 4 2 -2.36323E+00 5 T 5 3 1 -1.96028E+00 6 T 1 5 2 -1.49506E+00 7 T 7 3 0 -1.34653E+00 8 T 1 6 2 -1.03208E+00 9 T 1 7 2 -7.55128E-01 10 T 3 4 1 -6.24336E-01 11 T 1 8 2 -5.75689E-01 12 T 1 9 2 -4.53921E-01 13 T 3 4 3 -4.08991E-01 14 T 1 10 2 -3.66929E-01 1 3 1 17 1 0.000000E+00 1 T 1 3 2 -4.05136E+00 2 T 3 3 1 -2.84364E+00 3 T 1 4 2 -2.27410E+00 4 T 1 5 2 -1.45205E+00 5 T 1 5 4 -1.43993E+00 6 T 1 6 2 -1.00779E+00 7 T 1 6 4 -1.00044E+00 8 T 1 7 2 -7.40285E-01 9 T 1 7 4 -7.35181E-01 10 T 3 4 1 -6.53031E-01 11 T 1 8 2 -5.65809E-01 12 T 1 8 4 -5.62973E-01 13 T 1 9 2 -4.47024E-01 14 T 1 9 4 -4.45572E-01 15 T 3 4 3 -4.33371E-01 16 T 1 10 2 -3.61886E-01 17 T 1 10 4 -3.60193E-01 1 4 1 7 1 0.000000E+00 1 T 1 5 4 -1.44494E+00 2 T 1 6 4 -1.00336E+00 3 T 1 7 4 -7.37305E-01 4 T 1 8 4 -5.67095E-01 5 T 3 4 3 -5.38930E-01 6 T 1 9 4 -4.44950E-01 7 T 1 10 4 -3.60697E-01 1 5 1 9 1 0.000000E+00 1 T 1 5 4 -1.44077E+00 2 T 1 6 4 -1.00093E+00 3 T 1 7 4 -7.35634E-01 4 T 1 7 6 -7.34660E-01 5 T 1 8 4 -5.63561E-01 6 T 1 8 6 -5.62471E-01 7 T 1 9 4 -4.46210E-01 8 T 1 9 6 -4.44424E-01 9 T 3 4 3 -3.79464E-01 1 6 1 4 1 0.000000E+00 1 T 1 7 6 -7.34763E-01 2 T 1 8 6 -5.62585E-01 3 T 1 9 6 -4.44525E-01 4 T 1 10 6 -3.60069E-01 1 7 1 4 1 0.000000E+00 1 T 1 7 6 -7.34689E-01 2 T 1 8 6 -5.62494E-01 3 T 1 9 6 -4.44438E-01 4 T 1 10 6 -3.60002E-01 1 8 1 2 1 0.000000E+00 1 T 1 9 8 -4.44445E-01 2 T 1 10 8 -3.60001E-01 1 9 1 2 1 0.000000E+00 1 T 1 9 8 -4.44444E-01 2 T 1 10 8 -3.60000E-01 1 10 1 1 3 1.871980E+00 1 T 3 10 9 1.51198E+00 3 0 1 13 2 1.058180E+00 1 C 5 0 0 -9.72342E+00 2 T 2 3 1 -3.87707E+00 3 T 5 3 1 -2.07079E+00 4 T 6 3 0 -1.72025E+00 5 T 2 4 1 -1.42864E+00 6 T 2 5 1 -5.32573E-01 7 T 7 3 2 -2.48114E-01 8 T 2 6 1 -3.10816E-02 9 T 5 5 1 1.09309E-01 10 T 2 7 1 2.68094E-01 11 T 2 8 1 4.57331E-01 12 T 2 9 1 5.84890E-01 13 T 2 10 1 6.69732E-01 3 1 1 26 1 0.000000E+00 1 C 8 0 0 -1.04534E+01 2 T 1 3 0 -5.34136E+00 3 T 1 3 2 -4.15545E+00 4 T 2 3 1 -3.54776E+00 5 T 3 3 1 -2.81978E+00 6 T 1 4 0 -2.68852E+00 7 T 1 4 2 -2.32305E+00 8 T 4 3 1 -2.29187E+00 9 T 5 3 1 -2.10667E+00 10 T 1 5 0 -1.67648E+00 11 T 1 5 2 -1.47630E+00 12 T 2 4 1 -1.39336E+00 13 T 1 6 0 -1.13603E+00 14 T 1 6 2 -1.02133E+00 15 T 8 3 0 -9.20331E-01 16 T 1 7 0 -8.20578E-01 17 T 1 7 2 -7.48414E-01 18 T 3 4 1 -6.36513E-01 19 T 1 8 0 -6.09431E-01 20 T 1 8 2 -5.71751E-01 21 T 1 9 0 -4.85581E-01 22 T 2 5 1 -4.67757E-01 23 T 1 9 2 -4.50817E-01 24 T 1 10 0 -3.87916E-01 25 T 3 4 3 -3.85492E-01 26 T 1 10 2 -3.64744E-01 3 2 1 20 1 0.000000E+00 1 C 6 0 0 -1.08234E+01 2 T 1 3 2 -4.19086E+00 3 T 2 3 1 -3.63636E+00 4 T 3 3 1 -2.83685E+00 5 T 1 4 2 -2.33179E+00 6 T 5 3 1 -2.16423E+00 7 T 2 4 1 -1.48299E+00 8 T 1 5 2 -1.47697E+00 9 T 7 3 0 -1.36603E+00 10 T 2 4 3 -1.23231E+00 11 T 1 6 2 -1.02274E+00 12 T 6 3 2 -7.91156E-01 13 T 1 7 2 -7.49157E-01 14 T 3 4 1 -6.59797E-01 15 T 1 8 2 -5.72359E-01 16 T 2 5 1 -4.88330E-01 17 T 1 9 2 -4.51399E-01 18 T 3 4 3 -4.40274E-01 19 T 2 5 3 -3.76942E-01 20 T 1 10 2 -3.65003E-01 3 3 1 19 1 0.000000E+00 1 T 1 3 2 -4.27688E+00 2 T 3 3 1 -2.90790E+00 3 T 1 4 2 -2.36573E+00 4 T 1 5 2 -1.49744E+00 5 T 1 5 4 -1.43995E+00 6 T 2 4 3 -1.18083E+00 7 T 1 6 2 -1.03324E+00 8 T 1 6 4 -1.00047E+00 9 T 1 7 2 -7.55815E-01 10 T 1 7 4 -7.35242E-01 11 T 3 4 1 -6.77659E-01 12 T 1 8 2 -5.76510E-01 13 T 1 8 4 -5.63271E-01 14 T 3 4 3 -5.38110E-01 15 T 1 9 2 -4.54316E-01 16 T 1 9 4 -4.44736E-01 17 T 2 5 3 -3.77806E-01 18 T 1 10 2 -3.67177E-01 19 T 1 10 4 -3.60346E-01 3 4 1 9 1 0.000000E+00 1 T 1 5 4 -1.44493E+00 2 T 2 4 3 -1.20105E+00 3 T 1 6 4 -1.00334E+00 4 T 1 7 4 -7.37265E-01 5 T 1 8 4 -5.66196E-01 6 T 3 4 3 -5.29915E-01 7 T 1 9 4 -4.44981E-01 8 T 2 5 3 -3.86341E-01 9 T 1 10 4 -3.61563E-01 3 5 1 9 1 0.000000E+00 1 T 1 5 4 -1.44084E+00 2 T 1 6 4 -1.00101E+00 3 T 1 7 4 -7.35719E-01 4 T 1 7 6 -7.34661E-01 5 T 1 8 4 -5.63661E-01 6 T 1 8 6 -5.62472E-01 7 T 1 9 4 -4.46406E-01 8 T 1 9 6 -4.44424E-01 9 T 3 4 3 -3.81846E-01 3 6 1 4 1 0.000000E+00 1 T 1 7 6 -7.34763E-01 2 T 1 8 6 -5.62585E-01 3 T 1 9 6 -4.44525E-01 4 T 1 10 6 -3.60069E-01 3 7 1 4 1 0.000000E+00 1 T 1 7 6 -7.34689E-01 2 T 1 8 6 -5.62494E-01 3 T 1 9 6 -4.44438E-01 4 T 1 10 6 -3.60002E-01 3 8 1 2 1 0.000000E+00 1 T 1 9 8 -4.44445E-01 2 T 1 10 8 -3.60001E-01 3 9 1 2 1 0.000000E+00 1 T 1 9 8 -4.44444E-01 2 T 1 10 8 -3.60000E-01 3 10 1 1 2 1.058180E+00 1 T 2 10 9 6.98181E-01 5 0 1 11 2 1.058180E+00 1 C 4 0 0 -1.17713E+01 2 T 2 3 1 -3.60104E+00 3 T 6 3 0 -1.91283E+00 4 T 2 4 1 -1.42805E+00 5 T 2 5 1 -4.96426E-01 6 T 2 6 1 -7.67607E-03 7 T 2 7 1 2.82102E-01 8 T 2 8 1 4.67936E-01 9 T 2 9 1 5.93870E-01 10 T 6 4 0 6.32974E-01 11 T 2 10 1 6.84445E-01 5 1 1 8 2 1.058180E+00 1 T 2 3 1 -3.76596E+00 2 T 2 4 1 -1.47931E+00 3 T 2 5 1 -5.21566E-01 4 T 2 6 1 -2.10888E-02 5 T 2 7 1 2.74156E-01 6 T 2 8 1 4.62906E-01 7 T 2 9 1 5.90860E-01 8 T 2 10 1 6.81585E-01 5 2 1 16 2 1.058180E+00 1 T 2 3 1 -3.81943E+00 2 T 2 4 1 -1.50082E+00 3 T 2 4 3 -1.24059E+00 4 T 6 3 2 -9.31832E-01 5 T 2 5 1 -5.27707E-01 6 T 2 5 3 -3.81586E-01 7 T 2 6 1 -2.51495E-02 8 T 2 6 3 5.55801E-02 9 T 2 7 1 2.71539E-01 10 T 2 7 3 3.21179E-01 11 T 2 8 1 4.61127E-01 12 T 2 8 3 4.93838E-01 13 T 2 9 1 5.89589E-01 14 T 2 9 3 6.12265E-01 15 T 2 10 1 6.80638E-01 16 T 2 10 3 6.96981E-01 5 3 1 7 2 1.058180E+00 1 T 2 4 3 -1.18534E+00 2 T 2 5 3 -3.80585E-01 3 T 2 6 3 5.84229E-02 4 T 2 7 3 3.23438E-01 5 T 2 8 3 4.95562E-01 6 T 2 9 3 6.13614E-01 7 T 2 10 3 6.98072E-01 5 4 1 12 2 1.058180E+00 1 T 2 4 3 -1.20453E+00 2 T 2 5 3 -3.89346E-01 3 T 2 6 3 5.33598E-02 4 T 2 6 5 5.77262E-02 5 T 2 7 3 3.20279E-01 6 T 2 7 5 3.23073E-01 7 T 2 8 3 4.93463E-01 8 T 2 8 5 4.95357E-01 9 T 2 9 3 6.12148E-01 10 T 2 9 5 6.13489E-01 11 T 2 10 3 6.97008E-01 12 T 2 10 5 6.97991E-01 5 5 1 4 2 1.058180E+00 1 T 2 6 5 5.87163E-02 2 T 2 7 5 3.23931E-01 3 T 2 8 5 4.96000E-01 4 T 2 9 5 6.13965E-01 5 6 1 7 2 1.058180E+00 1 T 2 6 5 5.79282E-02 2 T 2 7 5 3.23260E-01 3 T 2 8 5 4.95496E-01 4 T 2 8 7 4.95643E-01 5 T 2 9 5 6.13590E-01 6 T 2 9 7 6.13744E-01 7 T 2 10 5 6.98189E-01 5 7 1 2 2 1.058180E+00 1 T 2 8 7 4.95683E-01 2 T 2 9 7 6.13740E-01 5 8 1 3 2 1.058180E+00 1 T 2 8 7 4.95678E-01 2 T 2 9 7 6.13733E-01 3 T 2 10 9 6.98182E-01 5 10 1 1 2 1.058180E+00 1 T 2 10 9 6.98183E-01 1 0 0 13 1 0.000000E+00 1 C 3 0 0 -1.19759E+01 2 C 12 0 0 -7.29400E+00 3 T 1 3 1 -4.44256E+00 4 T 4 3 0 -2.70153E+00 5 T 1 4 1 -2.41605E+00 6 T 3 3 2 -2.05869E+00 7 T 1 5 1 -1.52096E+00 8 T 1 6 1 -1.04734E+00 9 T 1 7 1 -7.64794E-01 10 T 1 8 1 -5.82912E-01 11 T 1 9 1 -4.59207E-01 12 T 3 4 2 -3.80135E-01 13 T 1 10 1 -3.66423E-01 1 1 0 14 1 0.000000E+00 1 T 1 3 1 -4.92187E+00 2 T 5 3 0 -2.66192E+00 3 T 1 4 1 -2.48471E+00 4 T 3 3 2 -2.15691E+00 5 T 5 3 2 -1.62362E+00 6 T 1 5 1 -1.57102E+00 7 T 1 6 1 -1.08865E+00 8 T 7 3 1 -1.02310E+00 9 T 1 7 1 -7.90412E-01 10 T 1 8 1 -6.00092E-01 11 T 1 9 1 -4.73215E-01 12 T 5 4 0 -4.53456E-01 13 T 3 4 2 -3.88786E-01 14 T 1 10 1 -3.77608E-01 1 2 0 23 1 0.000000E+00 1 C 2 0 0 -1.23579E+01 2 C 11 0 0 -8.02194E+00 3 T 1 3 1 -4.60728E+00 4 T 3 3 0 -3.25066E+00 5 T 1 4 1 -2.47521E+00 6 T 1 4 3 -2.26567E+00 7 T 3 3 2 -2.18788E+00 8 T 4 3 2 -1.70334E+00 9 T 1 5 1 -1.55783E+00 10 T 1 5 3 -1.45286E+00 11 T 5 3 2 -1.35019E+00 12 T 1 6 1 -1.06229E+00 13 T 1 6 3 -9.93356E-01 14 T 3 4 0 -8.56544E-01 15 T 1 7 1 -7.72084E-01 16 T 1 7 3 -7.32237E-01 17 T 7 3 1 -6.09571E-01 18 T 1 8 1 -5.88317E-01 19 T 1 8 3 -5.61243E-01 20 T 1 9 1 -4.62966E-01 21 T 1 9 3 -4.43860E-01 22 T 3 4 2 -4.07645E-01 23 T 1 10 1 -3.73082E-01 1 3 0 11 1 0.000000E+00 1 T 3 3 2 -2.36076E+00 2 T 1 4 3 -2.24734E+00 3 T 5 3 2 -1.55783E+00 4 T 1 5 3 -1.39873E+00 5 T 1 6 3 -1.00195E+00 6 T 7 3 1 -9.53711E-01 7 T 1 7 3 -7.36532E-01 8 T 1 8 3 -5.64396E-01 9 T 1 9 3 -4.48055E-01 10 T 3 4 2 -4.41923E-01 11 T 1 10 3 -3.61147E-01 1 4 0 12 1 0.000000E+00 1 T 3 3 2 -2.31968E+00 2 T 1 4 3 -2.21154E+00 3 T 1 5 3 -1.44094E+00 4 T 1 6 3 -1.00120E+00 5 T 1 6 5 -9.99868E-01 6 T 1 7 3 -7.35714E-01 7 T 1 7 5 -7.34625E-01 8 T 1 8 3 -5.63437E-01 9 T 1 8 5 -5.62474E-01 10 T 1 9 3 -4.48767E-01 11 T 1 9 5 -4.44439E-01 12 T 3 4 2 -4.37784E-01 1 5 0 5 1 0.000000E+00 1 T 1 6 5 -1.00072E+00 2 T 1 7 5 -7.35346E-01 3 T 1 8 5 -5.63005E-01 4 T 1 9 5 -4.44827E-01 5 T 1 10 5 -3.60292E-01 1 6 0 7 1 0.000000E+00 1 T 1 6 5 -1.00000E+00 2 T 1 7 5 -7.34733E-01 3 T 1 8 5 -5.62570E-01 4 T 1 8 7 -5.62513E-01 5 T 1 9 5 -4.44515E-01 6 T 1 9 7 -4.44453E-01 7 T 1 10 5 -3.59982E-01 1 7 0 3 1 0.000000E+00 1 T 1 8 7 -5.62504E-01 2 T 1 9 7 -4.44451E-01 3 T 1 10 7 -3.60007E-01 1 8 0 3 1 0.000000E+00 1 T 1 8 7 -5.62500E-01 2 T 1 9 7 -4.44443E-01 3 T 1 10 7 -3.60004E-01 1 9 0 1 1 0.000000E+00 1 T 1 10 9 -3.59999E-01 1 10 0 1 1 0.000000E+00 1 T 1 10 9 -3.60003E-01 1 11 0 1 7 3.757560E+00 1 T 7 10 9 3.39756E+00 3 0 0 12 1 0.000000E+00 1 T 1 3 1 -4.79942E+00 2 T 4 3 0 -2.85587E+00 3 T 1 4 1 -2.53168E+00 4 T 3 3 2 -2.17422E+00 5 T 1 5 1 -1.57760E+00 6 T 1 6 1 -1.07933E+00 7 T 1 7 1 -7.84544E-01 8 T 1 8 1 -5.95989E-01 9 T 4 4 0 -5.17075E-01 10 T 1 9 1 -4.68419E-01 11 T 3 4 2 -4.10366E-01 12 T 1 10 1 -3.76197E-01 3 1 0 23 1 0.000000E+00 1 C 1 0 0 -1.26790E+01 2 C 9 0 0 -8.28445E+00 3 T 1 3 1 -4.75225E+00 4 T 2 3 0 -4.04775E+00 5 T 2 3 2 -3.15781E+00 6 T 5 3 0 -2.63459E+00 7 T 1 4 1 -2.50614E+00 8 T 3 3 2 -2.23115E+00 9 T 2 4 0 -1.64328E+00 10 T 1 5 1 -1.55912E+00 11 T 5 3 2 -1.51322E+00 12 T 6 3 1 -1.30780E+00 13 T 2 4 2 -1.24909E+00 14 T 1 6 1 -1.07152E+00 15 T 1 7 1 -7.81165E-01 16 T 7 3 1 -7.65073E-01 17 T 1 8 1 -6.01434E-01 18 T 2 5 0 -5.74557E-01 19 T 1 9 1 -4.66281E-01 20 T 3 4 2 -4.43029E-01 21 T 2 5 2 -4.07773E-01 22 T 1 10 1 -3.74569E-01 23 T 5 4 0 -3.63177E-01 3 2 0 25 1 0.000000E+00 1 T 1 3 1 -4.86305E+00 2 T 3 3 0 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