--------------------------- 786 ------------------------------------------- Ref. "Electron-ion recombination of neutral iron", Sultana N. Nahar, Manuel A. Bautista, and Anil K. Pradhan, Astrophys. J. 479, 497 (1997) -------------------------------------------------------------------------- Fe I : 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 = 26, no of target/core electrons= 25 no of target/core states in WF = 52 target states and energies: 1 3d64s 6D 0.00000E+00 2 3d7 4F 1.82280E-02 3 3d64s 4D 7.20280E-02 4 3d7 4P 1.20252E-01 5 3d7 2G 1.42719E-01 6 3d7 2P 1.65119E-01 7 3d7 2H 1.83489E-01 8 3d7 2D 1.86054E-01 9 3d64s 4P 1.91409E-01 10 3d64s 4H 1.91756E-01 11 3d64s 4F 2.04046E-01 12 3d54s2 6S 2.08692E-01 13 3d64s 4G 2.30955E-01 14 3d64s 2P 2.34679E-01 15 3d64s 2H 2.35443E-01 16 3d64s 2F 2.46311E-01 17 3d64s 2G 2.74650E-01 18 3d64s 4D 2.82521E-01 19 3d7 2F 2.87072E-01 20 3d64s 2I 2.95935E-01 21 3d64s 2G 3.01316E-01 22 3d64s 2D 3.26106E-01 23 3d64s 2S 3.35447E-01 24 3d64s 2D 3.44168E-01 25 3d64p 6Do 3.48957E-01 26 3d64p 6Fo 3.80491E-01 27 3d64p 6Po 3.88649E-01 28 3d64p 4Fo 4.03671E-01 29 3d64p 4Do 4.03941E-01 30 3d64p 4Po 4.26488E-01 31 3d54s4p 8Po 4.76184E-01 32 3d54s2 4G 4.90681E-01 33 3d54s2 4P 5.19879E-01 34 3d64p 4So 5.39900E-01 35 3d54s2 4D 5.46323E-01 36 3d64p 4Po 5.50421E-01 37 3d64p 4Go 5.50430E-01 38 3d64p 4Ho 5.51567E-01 39 3d64p 4Io 5.56482E-01 40 3d64p 2Do 5.56693E-01 41 3d54s4p 6Po 5.61985E-01 42 3d64p 4Fo 5.62491E-01 43 3d64p 2Go 5.62919E-01 44 3d64p 4Do 5.64589E-01 45 3d64p 2Io 5.65416E-01 46 3d64p 4Do 5.72208E-01 47 3d64p 4Go 5.79128E-01 48 3d64p 2Fo 5.82570E-01 49 3d64p 2Po 5.86934E-01 50 3d64p 2Go 5.88123E-01 51 3d64p 2Ho 5.92642E-01 52 3d54s2 4F 6.65596E-01 ------------------------------------------------------------------------- ii) Table of bound (negative) state energies (with spectroscopic notation) -------------------------------------------------------------------------- Ion ground state = 50202600.0000, Eo(Ry) = -5.6999E-01 =-IP lmax(for the outer electron) = 9 Total number of bound states below threshold (with n= 10 & lmax= 9) = 646 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) 3d64s (6D ) 4d a5S -0.12114 3d64s (6D ) 5d b5S -0.06772 3d64s (4D ) 4d c5S -0.04898 3d64s (6D ) 6d d5S -0.04149 3d64s (6D ) 7d e5S -0.02920 3d64s (6D ) 8d f5S -0.02143 3d64s (6D ) 9d g5S -0.01637 3d64s (6D )10d h5S -0.01291 3d64s (6D )11d i5S -0.01043 3d7 (4P ) 4s a5P -0.42880 3d64s (6D ) 4d b5P -0.11161 3d7 (4F ) 4d c5P -0.07805 3d64s (6D ) 5d d5P -0.06527 3d64s (4D ) 4d e5P -0.05210 3d7 (4P ) 5s f5P -0.04493 3d64s (6D ) 6d g5P -0.03805 3d7 (4F ) 5d h5P -0.03692 3d64s (6D ) 7d i5P -0.02740 3d7 (4F ) 5g j5P -0.02178 3d64s (6D ) 8d k5P -0.02040 3d7 (4F ) 6d l5P -0.01821 3d64s (6D ) 9d m5P -0.01578 3d7 (4F ) 7d n5P -0.01366 3d64s (6D )10d o5P -0.01240 3d64s (6D )11d p5P -0.01014 Eqv st (0S ) 0s a5D -0.56999 3d64s (6D ) 5s b5D -0.16610 3d64s (6D ) 4d c5D -0.12670 3d64s (4D ) 5s d5D -0.10512 3d64s (6D ) 6s e5D -0.08080 3d7 (4F ) 4d f5D -0.07796 3d64s (6D ) 5d g5D -0.07200 3d64s (4D ) 4d h5D -0.05435 3d64s (6D ) 7s i5D -0.04934 3d64s (6D ) 6d j5D -0.04237 3d64s (6D ) 5g k5D -0.04004 3d7 (4F ) 5d l5D -0.03703 3d64s (6D ) 8s m5D -0.03312 3d64s (6D ) 7d n5D -0.03015 3d64s (6D ) 6g o5D -0.02781 3d64s (6D ) 9s p5D -0.02380 3d64s (6D ) 8d q5D -0.02228 3d7 (4F ) 5g r5D -0.02178 3d64s (6D ) 7g s5D -0.02044 3d64s (6D )10s t5D -0.01803 3d7 (4F ) 6d u5D -0.01785 3d64s (6D ) 9d v5D -0.01708 3d64s (6D ) 8g w5D -0.01565 3d64s (6D )11s x5D -0.01462 3d64s (6D )10d y5D -0.01352 3d64s (4D ) 6s z5D -0.01303 3d64s (6D ) 9g A5D -0.01236 3d64s (6D )12s B5D -0.01095 3d64s (6D )11d C5D -0.01085 3d64s (6D )10g D5D -0.01001 3d7 (4F ) 4s a5F -0.52951 3d7 (4F ) 5s b5F -0.14690 3d64s (6D ) 4d c5F -0.11634 3d7 (4F ) 4d d5F -0.07802 3d64s (6D ) 5d e5F -0.07115 3d7 (4F ) 6s f5F -0.06282 3d64s (4D ) 4d g5F -0.05598 3d64s (6D ) 6d h5F -0.04051 3d64s (6D ) 5g i5F -0.04005 3d7 (4F ) 5d j5F -0.03699 3d7 (4F ) 7s k5F -0.03142 3d64s (6D ) 7d l5F -0.02867 3d64s (6D ) 6g m5F -0.02783 3d64s (6D ) 8d n5F -0.02185 3d7 (4F ) 5g o5F -0.02175 3d64s (6D ) 7g p5F -0.02044 3d7 (4F ) 6d q5F -0.01790 3d64s (6D ) 9d r5F -0.01714 3d64s (6D ) 8g s5F -0.01565 3d7 (4F ) 8s t5F -0.01471 3d64s (6D )10d u5F -0.01377 3d64s (6D ) 9g v5F -0.01237 3d64s (6D )11d w5F -0.01141 3d64s (6D )10g x5F -0.01002 3d64s (6D ) 4d a5G -0.12449 3d7 (4F ) 4d b5G -0.07818 3d64s (6D ) 5d c5G -0.07025 3d64s (4D ) 4d d5G -0.05254 3d64s (6D ) 6d e5G -0.04199 3d64s (6D ) 5g f5G -0.04006 3d7 (4F ) 5d g5G -0.03701 3d64s (6D ) 7d h5G -0.02973 3d64s (6D ) 6g i5G -0.02783 3d64s (6D ) 8d j5G -0.02190 3d7 (4F ) 5g k5G -0.02178 3d64s (6D ) 7g l5G -0.02045 3d64s (6D ) 7i m5G -0.02041 3d7 (4F ) 6d n5G -0.01782 3d64s (6D ) 9d o5G -0.01675 3d64s (6D ) 8g p5G -0.01566 3d64s (6D ) 8i q5G -0.01562 3d64s (6D )10d r5G -0.01322 3d64s (6D ) 9g s5G -0.01237 3d64s (6D ) 9i t5G -0.01235 3d64s (6D )11d u5G -0.01070 3d7 (4F ) 4d a5H -0.07794 3d64s (6D ) 5g b5H -0.04006 3d7 (4F ) 5d c5H -0.03695 3d64s (6D ) 6g d5H -0.02784 3d7 (4F ) 5g e5H -0.02179 3d64s (6D ) 7g f5H -0.02045 3d64s (6D ) 7i g5H -0.02041 3d7 (4F ) 6d h5H -0.01778 3d64s (6D ) 8g i5H -0.01566 3d64s (6D ) 8i j5H -0.01563 3d64s (6D ) 9g k5H -0.01237 3d64s (6D ) 9i l5H -0.01235 3d64s (6D ) 5g a5I -0.04005 3d64s (6D ) 6g b5I -0.02782 3d7 (4F ) 5g c5I -0.02179 3d64s (6D ) 7g d5I -0.02044 3d64s (6D ) 7i e5I -0.02041 3d64s (6D ) 8g f5I -0.01565 3d64s (6D ) 8i g5I -0.01563 3d64s (6D ) 9g h5I -0.01236 3d7 (4F ) 5g a5K -0.02178 3d64s (6D ) 7i b5K -0.02041 3d64s (6D ) 8i c5K -0.01563 3d64s (6D ) 9i d5K -0.01235 3d64s (4P ) 4p z5So -0.20076 3d7 (4P ) 4p y5So -0.15718 3d7 (4F ) 4f x5So -0.04438 3d7 (4F ) 5f w5So -0.02185 3d7 (4F ) 6f v5So -0.00961 3d7 (4F ) 7f u5So -0.00222 3d64s (6D ) 4p z5Po -0.33294 3d64s (4D ) 4p y5Po -0.24204 3d64s (4P ) 4p x5Po -0.17750 3d7 (4P ) 4p w5Po -0.15835 3d64s (6D ) 5p v5Po -0.13276 3d64s (4D ) 4p u5Po -0.10030 3d64s (6D ) 4f t5Po -0.06310 3d64s (6D ) 6p s5Po -0.06168 3d7 (4F ) 4f r5Po -0.04464 3d64s (4D ) 5p q5Po -0.04409 3d64s (6D ) 5f p5Po -0.04036 3d64s (6D ) 7p o5Po -0.03817 3d64s (6D ) 8p n5Po -0.02853 3d64s (6D ) 6f m5Po -0.02800 3d7 (4P ) 5p l5Po -0.02498 3d7 (4F ) 5f k5Po -0.02185 3d64s (6D ) 7f j5Po -0.02056 3d64s (6D ) 9p i5Po -0.01978 3d64s (6D ) 8f h5Po -0.01573 3d64s (6D )10p g5Po -0.01533 3d64s (6D ) 9f f5Po -0.01242 3d64s (6D )11p e5Po -0.01218 3d64s (6D )10f d5Po -0.01005 3d64s (6D ) 4p z5Do -0.36274 3d7 (4F ) 4p y5Do -0.28132 3d64s (4D ) 4p x5Do -0.21984 3d64s (4P ) 4p w5Do -0.17337 3d64s (4F ) 4p v5Do -0.15461 3d7 (4P ) 4p u5Do -0.13419 3d64s (6D ) 5p t5Do -0.11125 3d7 (4F ) 5p s5Do -0.09025 3d64s (6D ) 4f r5Do -0.06323 3d64s (6D ) 6p q5Do -0.06252 3d64s (4D ) 5p p5Do -0.04928 3d7 (4F ) 4f o5Do -0.04440 3d7 (4F ) 6p n5Do -0.04403 3d64s (6D ) 5f m5Do -0.04044 3d64s (6D ) 7p l5Do -0.03821 3d64s (6D ) 6f k5Do -0.02805 3d64s (6D ) 8p j5Do -0.02755 3d7 (4F ) 5f i5Do -0.02193 3d7 (4F ) 7p h5Do -0.02183 3d64s (6D ) 7f g5Do -0.02060 3d64s (6D ) 9p f5Do -0.02032 3d7 (4F ) 8p e5Do -0.01828 3d64s (6D ) 8f d5Do -0.01574 3d64s (6D )10p c5Do -0.01541 3d64s (6D ) 9f b5Do -0.01243 3d64s (6D )11p a5Do -0.01229 3d64s (6D )12p Z5Do -0.01008 3d64s (6D )10f Y5Do -0.01006 3d64s (6D ) 4p z5Fo -0.34746 3d7 (4F ) 4p y5Fo -0.27784 3d64s (4D ) 4p x5Fo -0.21901 3d64s (4F ) 4p w5Fo -0.15120 3d64s (6D ) 5p v5Fo -0.11250 3d7 (4F ) 5p u5Fo -0.09639 3d64s (4G ) 4p t5Fo -0.07909 3d64s (6D ) 4f s5Fo -0.06340 3d64s (6D ) 6p r5Fo -0.06249 3d64s (4D ) 5p q5Fo -0.04654 3d7 (4F ) 6p p5Fo -0.04453 3d7 (4F ) 4f o5Fo -0.04429 3d64s (6D ) 5f n5Fo -0.04053 3d64s (6D ) 7p m5Fo -0.03863 3d64s (6D ) 6f l5Fo -0.02810 3d64s (6D ) 6h k5Fo -0.02778 3d64s (6D ) 8p j5Fo -0.02756 3d7 (4F ) 5f i5Fo -0.02191 3d7 (4F ) 7p h5Fo -0.02187 3d64s (6D ) 7f g5Fo -0.02063 3d64s (6D ) 7h f5Fo -0.02041 3d64s (6D ) 9p e5Fo -0.02023 3d7 (4F ) 8p d5Fo -0.01990 3d64s (6D ) 8f c5Fo -0.01577 3d64s (6D ) 8h b5Fo -0.01563 3d64s (6D )10p a5Fo -0.01554 3d64s (6D ) 9f Z5Fo -0.01245 3d64s (6D ) 9h Y5Fo -0.01235 3d64s (6D )11p X5Fo -0.01232 3d64s (6D )10f W5Fo -0.01008 3d64s (6D )12p V5Fo -0.01005 3d64s (6D )10h U5Fo -0.01000 3d7 (4F ) 4p z5Go -0.26659 3d64s (4H ) 4p y5Go -0.15877 3d64s (4F ) 4p x5Go -0.13955 3d7 (4F ) 5p w5Go -0.09378 3d64s (4G ) 4p v5Go -0.08167 3d64s (6D ) 4f u5Go -0.06340 3d7 (4F ) 4f t5Go -0.04451 3d7 (4F ) 6p s5Go -0.04415 3d64s (6D ) 5f r5Go -0.04050 3d64s (6D ) 6f q5Go -0.02811 3d64s (6D ) 6h p5Go -0.02778 3d7 (4F ) 5f o5Go -0.02192 3d7 (4F ) 7p n5Go -0.02164 3d64s (6D ) 7f m5Go -0.02059 3d64s (6D ) 7h l5Go -0.02041 3d64s (6D ) 8f k5Go -0.01577 3d64s (6D ) 8h j5Go -0.01563 3d64s (6D ) 9f i5Go -0.01245 3d64s (6D ) 9h h5Go -0.01235 3d64s (6D )10f g5Go -0.01008 3d64s (6D )10h f5Go -0.01000 3d64s (4H ) 4p z5Ho -0.15170 3d64s (4G ) 4p y5Ho -0.07541 3d64s (6D ) 4f x5Ho -0.06322 3d7 (4F ) 4f w5Ho -0.04448 3d64s (6D ) 5f v5Ho -0.04044 3d64s (6D ) 6f u5Ho -0.02805 3d64s (6D ) 6h t5Ho -0.02778 3d7 (4F ) 5f s5Ho -0.02190 3d64s (6D ) 7f r5Ho -0.02058 3d64s (6D ) 7h q5Ho -0.02041 3d64s (6D ) 8f p5Ho -0.01575 3d64s (6D ) 8h o5Ho -0.01563 3d64s (6D ) 8k n5Ho -0.01562 3d64s (6D ) 9f m5Ho -0.01243 3d64s (6D ) 9h l5Ho -0.01235 3d64s (6D ) 9k k5Ho -0.01235 3d64s (6D )10f j5Ho -0.01006 3d64s (4H ) 4p z5Io -0.15314 3d7 (4F ) 4f y5Io -0.04439 3d64s (6D ) 6h x5Io -0.02778 3d7 (4F ) 5f w5Io -0.02185 3d64s (6D ) 7h v5Io -0.02041 3d64s (6D ) 8h u5Io -0.01563 3d64s (6D ) 8k t5Io -0.01562 3d64s (6D ) 9h s5Io -0.01235 3d64s (6D ) 9k r5Io -0.01235 3d64s (6D ) 6h z5Ko -0.02778 3d64s (6D ) 7h y5Ko -0.02041 3d64s (6D ) 8h x5Ko -0.01563 3d64s (6D ) 8k w5Ko -0.01562 3d64s (6D ) 9h v5Ko -0.01235 3d64s (6D ) 9k u5Ko -0.01235 3d64s (6D ) 4d a7S -0.11812 3d64s (6D ) 5d b7S -0.06500 3d64s (6D ) 6d c7S -0.04121 3d64s (6D ) 7d d7S -0.02846 3d64s (6D ) 8d e7S -0.02083 3d64s (6D ) 9d f7S -0.01590 3d64s (6D )10d g7S -0.01254 3d64s (6D )11d h7S -0.01014 3d64s (6D ) 4d a7P -0.12004 3d64s (6D ) 5d b7P -0.06656 3d64s (4H ) 0s c7P -0.05571 3d64s (6D ) 6d d7P -0.04147 3d64s (6D ) 7d e7P -0.02877 3d64s (6D ) 8d f7P -0.02112 3d64s (6D ) 9d g7P -0.01617 3d64s (6D )10d h7P -0.01279 3d64s (6D )11d i7P -0.01039 3d64s (6D ) 5s a7D -0.18500 3d64s (6D ) 4d b7D -0.12106 3d64s (6D ) 6s c7D -0.08858 3d64s (6D ) 5d d7D -0.06609 3d64s (6D ) 7s e7D -0.05236 3d64s (6D ) 6d f7D -0.04180 3d64s (6D ) 5g g7D -0.04004 3d64s (6D ) 8s h7D -0.03461 3d64s (6D ) 7d i7D -0.02886 3d64s (6D ) 6g j7D -0.02781 3d64s (6D ) 9s k7D -0.02459 3d64s (6D ) 8d l7D -0.02169 3d64s (6D ) 7g m7D -0.02044 3d64s (4F ) 0s n7D -0.02024 3d64s (6D )10s o7D -0.01836 3d64s (6D ) 9d p7D -0.01595 3d64s (6D ) 8g q7D -0.01565 3d64s (6D )11s r7D -0.01424 3d64s (6D )10d s7D -0.01259 3d64s (6D ) 9g t7D -0.01236 3d64s (6D )12s u7D -0.01136 3d64s (6D )11d v7D -0.01018 3d64s (6D )10g w7D -0.01001 3d64s (6D ) 4d a7F -0.12240 3d64s (6D ) 5d b7F -0.06653 3d64s (6D ) 6d c7F -0.04199 3d64s (6D ) 5g d7F -0.04005 3d7 (4P ) 0s e7F -0.03404 3d64s (6D ) 7d f7F -0.02885 3d64s (6D ) 6g g7F -0.02783 3d64s (6D ) 8d h7F -0.02108 3d64s (6D ) 7g i7F -0.02044 3d64s (6D ) 9d j7F -0.01607 3d64s (6D ) 8g k7F -0.01565 3d64s (6D )10d l7F -0.01266 3d64s (6D ) 9g m7F -0.01237 3d64s (6D )11d n7F -0.01023 3d64s (6D )10g o7F -0.01002 3d64s (6D ) 4d a7G -0.11971 3d64s (6D ) 5d b7G -0.06556 3d64s (6D ) 6d c7G -0.04148 3d64s (6D ) 5g d7G -0.04006 3d64s (6D ) 7d e7G -0.02861 3d64s (6D ) 6g f7G -0.02783 3d64s (6D ) 8d g7G -0.02092 3d64s (6D ) 7g h7G -0.02045 3d64s (6D ) 7i i7G -0.02041 3d64s (6D ) 9d j7G -0.01597 3d64s (6D ) 8g k7G -0.01566 3d64s (6D ) 8i l7G -0.01562 3d64s (6D )10d m7G -0.01258 3d64s (6D ) 9g n7G -0.01237 3d64s (6D ) 9i o7G -0.01235 3d64s (6D )11d p7G -0.01017 3d64s (6D ) 5g a7H -0.04006 3d64s (6D ) 6g b7H -0.02784 3d64s (6D ) 7g c7H -0.02045 3d64s (6D ) 7i d7H -0.02041 3d64s (6D ) 8g e7H -0.01566 3d64s (6D ) 8i f7H -0.01563 3d64s (6D ) 9g g7H -0.01237 3d64s (6D ) 9i h7H -0.01235 3d64s (6D ) 5g a7I -0.04005 3d64s (6D ) 6g b7I -0.02782 3d64s (6D ) 7g c7I -0.02044 3d64s (6D ) 7i d7I -0.02041 3d64s (6D ) 8g e7I -0.01565 3d64s (6D ) 8i f7I -0.01563 3d64s (6D ) 9g g7I -0.01236 3d64s (6D ) 4p z7Po -0.37519 3d54s2 (6S ) 4p y7Po -0.21298 3d64s (6D ) 5p x7Po -0.12039 3d64s (6D ) 6p w7Po -0.06545 3d64s (6D ) 4f v7Po -0.06309 3d64s (6D ) 7p u7Po -0.04134 3d64s (6D ) 5f t7Po -0.04036 3d64s (6D ) 8p s7Po -0.02851 3d64s (6D ) 6f r7Po -0.02800 3d64s (6D ) 9p q7Po -0.02085 3d64s (6D ) 7f p7Po -0.02056 3d64s (6D )10p o7Po -0.01591 3d64s (6D ) 8f n7Po -0.01573 3d64s (6D )11p m7Po -0.01255 3d64s (6D ) 9f l7Po -0.01242 3d64s (6D )12p k7Po -0.01014 3d64s (6D )10f j7Po -0.01005 3d64s (6D ) 4p z7Do -0.41312 3d64s (6D ) 5p y7Do -0.12610 3d64s (6D ) 6p x7Do -0.06746 3d64s (6D ) 4f w7Do -0.06325 3d64s (6D ) 7p v7Do -0.04232 3d64s (6D ) 5f u7Do -0.04046 3d64s (6D ) 8p t7Do -0.02906 3d64s (6D ) 6f s7Do -0.02806 3d64s (6D ) 9p r7Do -0.02119 3d64s (6D ) 7f q7Do -0.02059 3d64s (6D )10p p7Do -0.01614 3d64s (6D ) 8f o7Do -0.01575 3d64s (6D )11p n7Do -0.01270 3d64s (6D ) 9f m7Do -0.01244 3d64s (6D )12p l7Do -0.01026 3d64s (6D )10f k7Do -0.01007 3d64s (6D ) 4p z7Fo -0.38517 3d64s (6D ) 5p y7Fo -0.12277 3d64s (6D ) 6p x7Fo -0.06624 3d64s (6D ) 4f w7Fo -0.06339 3d64s (6D ) 7p v7Fo -0.04172 3d64s (6D ) 5f u7Fo -0.04053 3d64s (6D ) 8p t7Fo -0.02872 3d64s (6D ) 6f s7Fo -0.02811 3d64s (6D ) 6h r7Fo -0.02778 3d64s (6D ) 9p q7Fo -0.02098 3d64s (6D ) 7f p7Fo -0.02062 3d64s (6D ) 7h o7Fo -0.02041 3d64s (6D )10p n7Fo -0.01600 3d64s (6D ) 8f m7Fo -0.01577 3d64s (6D ) 8h l7Fo -0.01563 3d64s (6D )11p k7Fo -0.01260 3d64s (6D ) 9f j7Fo -0.01245 3d64s (6D ) 9h i7Fo -0.01235 3d64s (6D )12p h7Fo -0.01019 3d64s (6D )10f g7Fo -0.01008 3d64s (6D )10h f7Fo -0.01000 3d64s (6D ) 4f z7Go -0.06343 3d64s (6D ) 5f y7Go -0.04056 3d64s (6D ) 6f x7Go -0.02812 3d64s (6D ) 6h w7Go -0.02778 3d64s (6D ) 7f v7Go -0.02063 3d64s (6D ) 7h u7Go -0.02041 3d64s (6D ) 8f t7Go -0.01578 3d64s (6D ) 8h s7Go -0.01563 3d64s (6D ) 9f r7Go -0.01245 3d64s (6D ) 9h q7Go -0.01235 3d64s (6D )10f p7Go -0.01008 3d64s (6D )10h o7Go -0.01000 3d64s (6D ) 4f z7Ho -0.06322 3d64s (6D ) 5f y7Ho -0.04044 3d64s (6D ) 6f x7Ho -0.02805 3d64s (6D ) 6h w7Ho -0.02778 3d64s (6D ) 7f v7Ho -0.02058 3d64s (6D ) 7h u7Ho -0.02041 3d64s (6D ) 8f t7Ho -0.01575 3d64s (6D ) 8h s7Ho -0.01563 3d64s (6D ) 8k r7Ho -0.01562 3d64s (6D ) 9f q7Ho -0.01243 3d64s (6D ) 9h p7Ho -0.01235 3d64s (6D ) 9k o7Ho -0.01235 3d64s (6D )10f n7Ho -0.01006 Eqv st (0S ) 0s a1S -0.28098 3d7 (2P ) 4s a1P -0.33334 3d7 (2D ) 4s a1D -0.31702 3d7 (2G ) 0s b1D -0.25430 3d64s (2D ) 4s c1D -0.00624 3d64s (2F ) 4s a1F -0.19623 3d7 (2F ) 4s b1F -0.09009 3d7 (2P ) 4p z1So -0.11213 3d64s (2P ) 4p y1So -0.02763 3d7 (2P ) 4p z1Po -0.11222 3d7 (2D ) 4p y1Po -0.05872 3d7 (2D ) 5p x1Po -0.02792 3d64s (2P ) 4p z1Do -0.13733 3d7 (2P ) 4p y1Do -0.07318 3d64s (2F ) 4p x1Do -0.04972 3d7 (2D ) 4p w1Do -0.02899 3d64s (2F ) 4p z1Fo -0.10803 3d7 (2G ) 4p y1Fo -0.08378 3d64s (2G ) 4p x1Fo -0.04674 3d7 (2G ) 4s a1G -0.34720 3d64s (6D ) 0s b1G -0.30032 3d7 (2G ) 5s c1G -0.01530 3d7 (2H ) 4s a1H -0.29374 3d64s (6D ) 0s a1I -0.28338 3d7 (2G ) 4p z1Go -0.12444 3d7 (2H ) 4p y1Go -0.11037 3d64s (2F ) 4p x1Go -0.09240 3d64s (2G ) 4p w1Go -0.04092 3d7 (2G ) 4p z1Ho -0.11495 3d7 (2H ) 4p y1Ho -0.08016 3d64s (2G ) 4p x1Ho -0.04395 3d64s (2G ) 4p w1Ho -0.00862 3d7 (2H ) 4p z1Io -0.11349 3d64s (2H ) 4p y1Io -0.06540 3d64s (4D ) 4d a3S -0.04278 3d7 (2D ) 4d b3S -0.01152 3d64s (6D ) 0s a3P -0.38888 3d7 (4P ) 4s b3P -0.36075 3d7 (2P ) 4s c3P -0.34622 3d7 (4F ) 4d d3P -0.07675 3d7 (4P ) 5s e3P -0.04220 3d7 (4F ) 0s f3P -0.03807 3d7 (4F ) 5d g3P -0.03625 3d64s (4D ) 4d h3P -0.03164 3d7 (4F ) 5g i3P -0.02177 3d7 (4F ) 6d j3P -0.01757 3d7 (4F ) 6g k3P -0.00955 3d7 (4F ) 7d l3P -0.00717 3d7 (4F ) 7g m3P -0.00218 3d7 (2P ) 5s n3P -0.00170 3d7 (4F ) 8d o3P -0.00012 3d7 (2D ) 4s a3D -0.32940 3d64s (6D ) 0s b3D -0.24489 3d64s (4D ) 5s c3D -0.10915 3d7 (4F ) 4d d3D -0.07839 3d64s (4D ) 4d e3D -0.04528 3d7 (4F ) 5d f3D -0.03717 3d7 (4F ) 5g g3D -0.02178 3d7 (4F ) 6d h3D -0.01794 3d64s (4D ) 6s i3D -0.01519 3d7 (4F ) 6g j3D -0.00955 3d7 (4F ) 7d k3D -0.00723 3d7 (2G ) 4d l3D -0.00513 3d7 (4F ) 7g m3D -0.00218 3d7 (4F ) 8d n3D -0.00069 3d7 (4P ) 4p z3So -0.12664 3d64s (4P ) 4p y3So -0.11972 3d7 (2P ) 4p x3So -0.05705 3d7 (4F ) 4f w3So -0.04434 3d7 (4F ) 5f v3So -0.02194 3d7 (2P ) 5p u3So -0.01608 3d7 (4F ) 6f t3So -0.00951 3d7 (4F ) 7f s3So -0.00218 3d64s (4D ) 4p z3Po -0.28148 3d64s (4P ) 4p y3Po -0.14001 3d7 (4P ) 4p x3Po -0.11825 3d7 (2P ) 4p w3Po -0.09130 3d64s (4D ) 5p v3Po -0.05697 3d64s (4D ) 6p u3Po -0.04567 3d7 (4F ) 4f t3Po -0.04424 3d7 (4F ) 5f s3Po -0.02186 3d7 (4F ) 6f r3Po -0.00962 3d7 (4P ) 5p q3Po -0.00454 3d7 (4F ) 7f p3Po -0.00219 3d7 (4F ) 4p z3Do -0.30741 3d64s (4D ) 4p y3Do -0.22740 3d7 (4P ) 4p x3Do -0.15244 3d64s (4F ) 4p w3Do -0.12903 3d7 (4F ) 5p v3Do -0.09084 3d7 (2P ) 4p u3Do -0.08457 3d7 (2D ) 4p t3Do -0.07327 3d64s (4P ) 4p s3Do -0.05717 3d64s (4D ) 5p r3Do -0.04924 3d7 (4F ) 4f q3Do -0.04435 3d7 (4F ) 6p p3Do -0.04265 3d7 (4F ) 7p o3Do -0.02336 3d7 (4F ) 5f n3Do -0.02187 3d64s (2P ) 4p m3Do -0.01641 3d7 (4F ) 6f l3Do -0.00962 3d7 (4F ) 6h k3Do -0.00955 3d64s (2F ) 4p j3Do -0.00820 3d7 (4F ) 7f i3Do -0.00223 3d7 (4F ) 7h h3Do -0.00218 3d7 (4F ) 9p g3Do -0.00165 3d7 (4F ) 4s a3F -0.47390 3d64s (6D ) 0s b3F -0.34968 3d7 (4F ) 0s c3F -0.20799 3d7 (4F ) 5s d3F -0.13890 3d64s (4F ) 4s e3F -0.09433 3d7 (4F ) 4d f3F -0.07550 3d7 (4F ) 6s g3F -0.06204 3d64s (4D ) 4d h3F -0.03969 3d7 (4F ) 5d i3F -0.03589 3d7 (4F ) 7s j3F -0.02998 3d7 (4F ) 5g k3F -0.02178 3d7 (4F ) 6d l3F -0.01736 3d64s (2F ) 4s m3F -0.01463 3d7 (4F ) 8s n3F -0.01425 3d7 (4F ) 6g o3F -0.00956 3d7 (4F ) 7d p3F -0.00679 3d7 (4F ) 9s q3F -0.00513 3d7 (4F ) 7g r3F -0.00219 3d7 (4F ) 7i s3F -0.00218 3d7 (4F ) 8d t3F -0.00042 3d7 (2G ) 4s a3G -0.36900 3d64s (6D ) 0s b3G -0.29735 3d7 (4F ) 4d c3G -0.07871 3d64s (4D ) 4d d3G -0.04443 3d7 (4F ) 5d e3G -0.03726 3d7 (4F ) 5g f3G -0.02179 3d7 (2G ) 5s g3G -0.01835 3d7 (4F ) 6d h3G -0.01789 3d7 (4F ) 6g i3G -0.00956 3d7 (4F ) 7d j3G -0.00726 3d7 (4F ) 7g k3G -0.00219 3d7 (4F ) 7i l3G -0.00218 3d7 (4F ) 8d m3G -0.00071 3d7 (4F ) 4p z3Fo -0.29770 3d64s (4D ) 4p y3Fo -0.24360 3d7 (2G ) 4p x3Fo -0.12535 3d7 (2D ) 4p w3Fo -0.09942 3d7 (4F ) 5p v3Fo -0.08976 3d64s (4F ) 4p u3Fo -0.05726 3d64s (4D ) 5p t3Fo -0.04846 3d7 (4F ) 4f s3Fo -0.04441 3d7 (4F ) 6p r3Fo -0.04310 3d64s (4G ) 4p q3Fo -0.02674 3d7 (4F ) 5f p3Fo -0.02190 3d7 (4F ) 7p o3Fo -0.02148 3d7 (4F ) 8p n3Fo -0.01024 3d7 (4F ) 6f m3Fo -0.00963 3d7 (4F ) 6h l3Fo -0.00955 3d64s (2F ) 4p k3Fo -0.00618 3d7 (4F ) 7f j3Fo -0.00223 3d7 (4F ) 7h i3Fo -0.00218 3d7 (4F ) 9p h3Fo -0.00154 3d7 (4F ) 4p z3Go -0.25942 3d7 (2G ) 4p y3Go -0.13572 3d7 (2H ) 4p x3Go -0.11377 3d64s (4H ) 4p w3Go -0.09707 3d7 (4F ) 5p v3Go -0.09135 3d64s (4F ) 4p u3Go -0.06625 3d7 (4F ) 6p t3Go -0.04484 3d7 (4F ) 4f s3Go -0.04449 3d7 (4F ) 7p r3Go -0.02303 3d64s (4G ) 4p q3Go -0.02216 3d7 (4F ) 5f p3Go -0.02165 3d7 (4F ) 8p o3Go -0.01148 3d7 (4F ) 6f n3Go -0.00963 3d7 (4F ) 6h m3Go -0.00955 3d64s (2H ) 4p l3Go -0.00751 3d7 (2G ) 5p k3Go -0.00367 3d7 (4F ) 7f j3Go -0.00226 3d7 (4F ) 7h i3Go -0.00218 3d7 (4F ) 9p h3Go -0.00135 3d64s (6D ) 0s a3H -0.34989 3d7 (2H ) 4s b3H -0.31600 3d7 (4F ) 4d c3H -0.07842 3d7 (4F ) 5d d3H -0.03719 3d7 (4F ) 5g e3H -0.02179 3d7 (4F ) 6d f3H -0.01791 3d7 (4F ) 6g g3H -0.00957 3d7 (4F ) 7d h3H -0.00724 3d7 (4F ) 7g i3H -0.00219 3d7 (4F ) 7i j3H -0.00218 3d7 (4F ) 8d k3H -0.00069 3d7 (2G ) 4p z3Ho -0.11947 3d7 (2H ) 4p y3Ho -0.09542 3d64s (4H ) 4p x3Ho -0.06192 3d7 (4F ) 4f w3Ho -0.04451 3d64s (4G ) 4p v3Ho -0.03374 3d7 (4F ) 5f u3Ho -0.02190 3d7 (4F ) 6f t3Ho -0.00963 3d7 (4F ) 6h s3Ho -0.00955 3d7 (2G ) 5p r3Ho -0.00279 3d7 (4F ) 7f q3Ho -0.00224 3d7 (4F ) 7h p3Ho -0.00218 3d64s (4P ) 6h z3Io -0.08826 3d7 (2P ) 6h y3Io -0.02992 3d7 (4F ) 4f x3Io -0.02930 3d7 (2G ) 4f w3Io -0.02321 3d7 (4F ) 5f v3Io -0.01263 3d7 (4F ) 6h u3Io -0.00915 3d7 (4F ) 6f t3Io -0.00377 3d7 (4F ) 7h s3Io -0.00175 3d7 (4F ) 5g a3I -0.02179 3d7 (4F ) 6g b3I -0.00956 3d7 (4F ) 7g c3I -0.00219 3d7 (4F ) 7i d3I -0.00218 3d7 (4F ) 5g a3K -0.02178 3d7 (4F ) 6g b3K -0.00955 3d7 (4F ) 7g c3K -0.00218 3d7 (4F ) 7i d3K -0.00218 3d7 (4F ) 6h z3Ko -0.00955 3d7 (4F ) 7h y3Ko -0.00218 --------------------------------------------------------------------------- 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 ------------------------------------------------------ 26 25 E 5 0 0 9 1 0.000000E+00 1 T 1 4 2 -1.21136E-01 2 T 1 5 2 -6.77189E-02 3 T 3 4 2 -4.89766E-02 4 T 1 6 2 -4.14892E-02 5 T 1 7 2 -2.92006E-02 6 T 1 8 2 -2.14329E-02 7 T 1 9 2 -1.63740E-02 8 T 1 10 2 -1.29080E-02 9 T 1 11 2 -1.04328E-02 5 1 0 16 1 0.000000E+00 1 T 4 4 0 -4.28797E-01 2 T 1 4 2 -1.11609E-01 3 T 2 4 2 -7.80533E-02 4 T 1 5 2 -6.52655E-02 5 T 3 4 2 -5.20954E-02 6 T 4 5 0 -4.49266E-02 7 T 1 6 2 -3.80524E-02 8 T 2 5 2 -3.69196E-02 9 T 1 7 2 -2.73993E-02 10 T 2 5 4 -2.17751E-02 11 T 1 8 2 -2.04014E-02 12 T 2 6 2 -1.82056E-02 13 T 1 9 2 -1.57797E-02 14 T 2 7 2 -1.36559E-02 15 T 1 10 2 -1.23989E-02 16 T 1 11 2 -1.01378E-02 5 2 0 30 1 0.000000E+00 1 C 0 0 0 -5.69988E-01 2 T 1 5 0 -1.66102E-01 3 T 1 4 2 -1.26697E-01 4 T 3 5 0 -1.05119E-01 5 T 1 6 0 -8.08031E-02 6 T 2 4 2 -7.79553E-02 7 T 1 5 2 -7.19953E-02 8 T 3 4 2 -5.43476E-02 9 T 1 7 0 -4.93368E-02 10 T 1 6 2 -4.23748E-02 11 T 1 5 4 -4.00397E-02 12 T 2 5 2 -3.70273E-02 13 T 1 8 0 -3.31222E-02 14 T 1 7 2 -3.01462E-02 15 T 1 6 4 -2.78141E-02 16 T 1 9 0 -2.37963E-02 17 T 1 8 2 -2.22815E-02 18 T 2 5 4 -2.17754E-02 19 T 1 7 4 -2.04359E-02 20 T 1 10 0 -1.80337E-02 21 T 2 6 2 -1.78520E-02 22 T 1 9 2 -1.70756E-02 23 T 1 8 4 -1.56457E-02 24 T 1 11 0 -1.46249E-02 25 T 1 10 2 -1.35179E-02 26 T 3 6 0 -1.30335E-02 27 T 1 9 4 -1.23612E-02 28 T 1 12 0 -1.09547E-02 29 T 1 11 2 -1.08527E-02 30 T 1 10 4 -1.00118E-02 5 3 0 24 1 0.000000E+00 1 T 2 4 0 -5.29506E-01 2 T 2 5 0 -1.46902E-01 3 T 1 4 2 -1.16336E-01 4 T 2 4 2 -7.80234E-02 5 T 1 5 2 -7.11522E-02 6 T 2 6 0 -6.28183E-02 7 T 3 4 2 -5.59799E-02 8 T 1 6 2 -4.05108E-02 9 T 1 5 4 -4.00532E-02 10 T 2 5 2 -3.69867E-02 11 T 2 7 0 -3.14184E-02 12 T 1 7 2 -2.86656E-02 13 T 1 6 4 -2.78257E-02 14 T 1 8 2 -2.18464E-02 15 T 2 5 4 -2.17452E-02 16 T 1 7 4 -2.04445E-02 17 T 2 6 2 -1.79049E-02 18 T 1 9 2 -1.71431E-02 19 T 1 8 4 -1.56519E-02 20 T 2 8 0 -1.47129E-02 21 T 1 10 2 -1.37709E-02 22 T 1 9 4 -1.23658E-02 23 T 1 11 2 -1.14082E-02 24 T 1 10 4 -1.00152E-02 5 4 0 21 1 0.000000E+00 1 T 1 4 2 -1.24489E-01 2 T 2 4 2 -7.81752E-02 3 T 1 5 2 -7.02480E-02 4 T 3 4 2 -5.25383E-02 5 T 1 6 2 -4.19945E-02 6 T 1 5 4 -4.00632E-02 7 T 2 5 2 -3.70107E-02 8 T 1 7 2 -2.97333E-02 9 T 1 6 4 -2.78343E-02 10 T 1 8 2 -2.19003E-02 11 T 2 5 4 -2.17826E-02 12 T 1 7 4 -2.04508E-02 13 T 1 7 6 -2.04082E-02 14 T 2 6 2 -1.78191E-02 15 T 1 9 2 -1.67536E-02 16 T 1 8 4 -1.56565E-02 17 T 1 8 6 -1.56250E-02 18 T 1 10 2 -1.32238E-02 19 T 1 9 4 -1.23691E-02 20 T 1 9 6 -1.23457E-02 21 T 1 11 2 -1.06953E-02 5 5 0 12 1 0.000000E+00 1 T 2 4 2 -7.79443E-02 2 T 1 5 4 -4.00641E-02 3 T 2 5 2 -3.69485E-02 4 T 1 6 4 -2.78351E-02 5 T 2 5 4 -2.17895E-02 6 T 1 7 4 -2.04514E-02 7 T 1 7 6 -2.04082E-02 8 T 2 6 2 -1.77810E-02 9 T 1 8 4 -1.56569E-02 10 T 1 8 6 -1.56251E-02 11 T 1 9 4 -1.23695E-02 12 T 1 9 6 -1.23457E-02 5 6 0 8 1 0.000000E+00 1 T 1 5 4 -4.00468E-02 2 T 1 6 4 -2.78202E-02 3 T 2 5 4 -2.17865E-02 4 T 1 7 4 -2.04404E-02 5 T 1 7 6 -2.04082E-02 6 T 1 8 4 -1.56489E-02 7 T 1 8 6 -1.56251E-02 8 T 1 9 4 -1.23636E-02 5 7 0 4 1 0.000000E+00 1 T 2 5 4 -2.17774E-02 2 T 1 7 6 -2.04082E-02 3 T 1 8 6 -1.56251E-02 4 T 1 9 6 -1.23458E-02 5 0 1 10 2 1.822800E-02 1 T 9 4 1 -2.00757E-01 2 T 4 4 1 -1.57176E-01 3 T 2 4 3 -4.43780E-02 4 T 2 5 3 -2.18536E-02 5 T 2 6 3 -9.60522E-03 6 T 2 7 3 -2.21851E-03 7 T 4 5 1 1.07174E-03 8 T 2 8 3 2.57749E-03 9 T 2 9 3 5.86332E-03 10 T 2 10 3 8.21378E-03 5 1 1 23 1 0.000000E+00 1 T 1 4 1 -3.32941E-01 2 T 3 4 1 -2.42041E-01 3 T 9 4 1 -1.77500E-01 4 T 4 4 1 -1.58351E-01 5 T 1 5 1 -1.32764E-01 6 T 18 4 1 -1.00304E-01 7 T 1 4 3 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