Kurucz/Atoms


*** See /LINELISTS for atomic and molecular linelists sorted by wavelength.

AEL      Atomic energy level data from NBS or NIST or elsewhere in original 
               format.
HF       Hartree-Fock integrals for starting guesses for 50 low configurations 
               computed at Los Alamos in the mid-1980s using Cowan's HF code.
PF       Partition functions computed using the energy levels from the
               GFxxyy.GAM files.
PROGRAMS       Fortran programs for manipulating some of the files
               (not required).
         EXPAND3007.FOR reads GFxxyy.LIN or .WNLIN and GFxxyy.GAM files 
               and writes files in expanded formats.  The user can modify 
               this to change formats.
         EXPANDFORBIDDEN3007.FOR reads GA*xxyy.LIN or .WNLIN and 
               GFxxyy.GAM files and writes files in expanded formats.  
               The user can modify this to change formats.
         GFAGAFGF.FOR program that reformats GFEMQxxyy.POS files for gf 
               to gf, f, fe, A, and gA.

                            INDIVIDUAL IONS
For each spectrum the directory name is element number xx times 100 plus the 
charge yy = /xxyy.  Buttons for each ion are listed below.  Most of these 
ions remain to be filled in.  A suffix 88 on a file extension means a 
calculation from 1988 or so at the San Diego Supercomputer Center.  All
these will eventually be updated.  Negative energy levels are predicted.
Extension .*LIN* means all lines computed for the whole transition array.
Extension .POS means computed lines only between known levels, thus with 
good wavelengths.  Extension .ALL means a .POS file with laboratory or
theoretical gfs substituted from the literature when available.  Extension 
.LAB means gfs were taken from a laboratory reference or a compilation.  
Extension .THE means gfs were taken from a theory reference.  See /LINELISTS 
for 160 column format.

ABxxyyzz.DAT  Hyperfine splitting constants A and B.  zz is the isotope.

ABSTRACTxxyy.DAT Informal notes until the work is "complete". 

AELxxyy.DAT, AELxxyyE.DAT, AELxxyyO.DAT  Atomic energy level data hand-
        editted into my format.  You can check the original in AEL or 
        at the NIST website, or in published analyses.

BxxyyE.LOG and BxxyyO.LOG or .OUT are output files from the least 
       squares fits to the observed Even or Odd energy levels.

CxxyyE.LOG and CxxyyO.LOG or .OUT are output files of all the eigenvalues 
       and the three strongest LS components.  *.LOG is the same as *.OUT.

COMP*.DAT  comparisons with other work.

Exxyy*.DAT laboratory energy level data

EXxxyy.COM command file that runs EXPAND3007.FOR to read GFxxyy.LIN or 
       .WNLIN and GFxxyy.GAM files and writes files in expanded formats.  
       The user can modify this to change formats.

EXMQXXYY.COM command file that runs EXPANDFORBIDDEN3007.FOR program to 
       read GA*xxyy.LIN or .WNLIN and GFxxyy.GAM files and writes files 
       in expanded formats.  The user can modify this to change formats.

GAMxxyyE.*, GAMxxyyO.*, GAQxxyyE.* , GAQxxyyO.*   even and odd M1 and E2 
       log gA calculations for whole transition array.  
GA*xxyy*.COM command file.
GA*xxyy*.GAM output energy level file.
GA*xxyy*.LIN output line file with pointers to energy file.  Air wl in nm.
GA*xxyy*.LINES output line file in 160 col format, not on website.
GA*xxyy*.META subset if GA*xxyy*.LINES file with metastable levels.
GA*xxyy*.POS subset of GA*xxyy*.LINES with good wavelenths.
GA*xxyy*.WNLIN like GA*xxyy*.LIN with wavenumbers in wavenumber order.

GAMMASUMxxyy.GAM energy level files with A sums from E+m+Q *.GAM .

GFxxyy files are results for the complete transition array.

GFxxyy.80col    GFxxyy.LINES with only first 80 columns so half as large. 

GFxxyy.AGAFGA   GFEMQxxyy.POS with no damping but gf, f, fe, A, and gA. 

GFxxyy.ALL is GFxxyy.POS with lines replaced by LAB lines where they exist
       and seem to be better than the computed. 

GFxxyy.BF has the branching fractions, As and A-sums for the lines in 
       GFxxyy.LOW but not broadening data from gfxxyy.lines. 

GFxxyy.COM   command file for computing E1 transition array.

GFxxyy.GAM has all energy levels with the J, label, Lande g, sums of As, 
       C4s, C6s, and the 3 largest eigenvector components.

GFxxyy.GAMALL are GFxxyy.GAM including LAB data (eventually),  There 
       will also be LIFExxyy,ALL, BFxxyy.ALL.

GFxxyy.LAB is a subset of lines in GFxxyy.POS with gf values replaced by
       the best LAB gf values where they exist and seem to be better than 
       the computed.  All other lines are deleted. 

GFxxyy.LIFE  lifetimes for energy levels from GAMMASUMxxyy.GAM.  Valid
       as long as A-sums are complete ~ N=9 .
       
GFxxyy.LIN has the computed line list in a packed format with indices 
       pointing to the energy levels in GFxxyy.GAM, or GAMMASUMxxyy.GAM.
       Air wavelengths in nm for wl>200nm.  GFxxyy.WNLIN with wavenumbers
       is more accurate in the far infrared and at 200nm air/vac boundary.

GFxxyy.LINES has the computed line list in a 160 column format inclusing
       both lines with good wavelengths and lines with predicted wavelengths

GFxxyy.LOG has the whole transition array printed including all lines that 
       are too weak to matter.  If this file is very large, it will be 
       loaded only on request.

GFxxyy.LOW has lines with upper energy where the energy levels are (probably)
       complete and below the lowest ionization potential.   
      
GFxxyy.METALIFE  levels selected from GFxxyy.LIFE that are metastable

GFxxyy.POS is the line list expanded from GFxxyy.LIN and GFxxyy.GAM by 
       EXPAND.FOR  but with predicted lines deleted.

GFxxyy.WNLIN like GFxxyy.LIN but with wavenumbers in wavenumber order. 

GFAGAFGFxxyy.COM writes GFEMQxxyy.AGAFGF from GFEMQxxyy.POS

GFEMQxxyy.POS merged file of gf values GFxxyy.POS + GFMxxyyE.METAPOS + 
          GFMxxyyO.METAPOS + GFQxxyyE.METAPOS + GFQxxyyO.METAPOS.

HFxxyy.COM input to Cowan Hartree-Fock code.
HFxxyy.DAT Slater integrals from Cowan Hartree-Fock code, Kurucz format.
HFxxyy.PUN output from Cowan Hartree-Fock code, Cowan format.
HFxxyy.RRR transition integrals from Cowan Hartree-Fock code.

HYPERxxyyzz.DAT and HYPERxxyyzz.ALL are GFxxyy.POS or GFxxyy.ALL with 
      hyperfine splitting.  zz is the isotope.  

LABxxyy*.DAT and various odd files.  All measurements and other work on xxyy.  
      Normally these files will be far behind because I now have to do all 
      this work myself.  The existing files may not yet have been updated 
      to the current energies and wavelengths.  LAB files may actually be
      compilations or calculations instead of lab data.

LIFExxyy.DAT are lifetimes computed from GFxxyy.GAM up to the approximate 
      last level where A sums are complete.

PFxxyy.DAT is the partition function computed from GFxxyy.GAM.

REFxxyy.dat is the list of references.

RRxxyy.DAT, RRxxyyE.DAT, RRxxyyO.DAT are scaled TFD transition integrals.
RRHFxxyy.DAT, RRHFxxyyE.DAT, RRHFxxyyO.DAT are HF transition integrals.

THExxyy*.DAT and various odd files.  Theoretical calculations on xxyy.  
      Normally these files will be far behind because I now have to do all 
      this work myself.  The existing files may not yet have been updated 
      to the current energies and wavelengths.  

WAVExxyy.COM computes wavefunctions using SIGMA.FOR from /PROGRAM.
WAVExxyy.DAT wavefunctions for all the configurations.  
WAVExxyy.LOG wavefunction printer plots.

periodic table

completed ions

0100

0200 0201

0300 0301 0302

0400 0401 0402 0403

0500 0501 0502 0503 0504

0600 0601 0602 0603 0604 0605

0700 0701 0702 0703 0704 0705 0706

0800 0801 0802 0803 0804 0805 0806 0807

0900 0901 0902 0903 0904 0905 0906 0907 0908

1000 1001 1002 1003 1004 1005 1006 1007 1008 1009

1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110

1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211

1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312

1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413

1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514

1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615

1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716

1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817

1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918

2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019

2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120

2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221

2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322

2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423

2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524

2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625

2700 2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725 2726

2800 2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 2821 2822 2823 2824 2825 2826 2827

2900 2901 2902 2903 2904 2905 2906 2907 2908 2909 2910 2911 2912 2913 2914 2915 2916 2917 2918 2919 2920 2921 2922 2923 2924 2925 2926 2927 2928

3000 3001 3002 3003 3004 3005 3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3021 3022 3023 3024 3025 3026 3027 3028 3029

3100 3101 3102 3103 3104 .....5400 5401 5402 5403 5404 .....7700 7701 7702 7703 7704

3200 3201 3202 3203 3204 .....5500 5501 5502 5503 5504 .....7800 7801 7802 7803 7804

3300 3301 3302 3303 3304 .....5600 5601 5602 5603 5604 .....7900 7901 7902 7903 7904

3400 3401 3402 3403 3404 .....5700 5701 5702 5703 5704 .....8000 8001 8002 8003 8004

3500 3501 3502 3503 3504 .....5800 5801 5802 5803 5804 .....8100 8101 8102 8103 8104

3600 3601 3602 3603 3604 .....5900 5901 5902 5903 5904 .....8200 8201 8202 8203 8204

3700 3701 3702 3703 3704 .....6000 6001 6002 6003 6004 .....8300 8301 8302 8303 8304

3800 3801 3802 3803 3804 .....6100 6101 6102 6103 6104 .....8400 8401 8402 8403 8404

3900 3901 3902 3903 3904 .....6200 6201 6202 6203 6204 .....8500 8501 8502 8503 8504

4000 4001 4002 4003 4004 .....6300 6301 6302 6303 6304 .....8600 8601 8602 8603 8604

4100 4101 4102 4103 4104 .....6400 6401 6402 6403 6404 .....8700 8701 8702 8703 8704

4200 4201 4202 4203 4204 .....6500 6501 6502 6503 6504 .....8800 8801 8802 8803 8804

4300 4301 4302 4303 4304 .....6600 6601 6602 6603 6604 .....8900 8901 8902 8903 8904

4400 4401 4402 4403 4404 .....6700 6701 6702 6703 6704 .....9000 9001 9002 9003 9004

4500 4501 4502 4503 4504 .....6800 6801 6802 6803 6804 .....9100 9101 9102 9103 9104

4600 4601 4602 4603 4604 .....6900 6901 6902 6903 6904 .....9200 9201 9202 9203 9204

4700 4701 4702 4703 4704 .....7000 7001 7002 7003 7004 .....9300 9301 9302 9303 9304

4800 4801 4802 4803 4804 .....7100 7101 7102 7103 7104 .....9400 9401 9402 9403 9404

4900 4901 4902 4903 4904 .....7200 7201 7202 7203 7204 .....9500 9501 9502 9503 9504

5000 5001 5002 5003 5004 .....7300 7301 7302 7303 7304 .....9600 9601 9602 9603 9604

5100 5101 5102 5103 5104 .....7400 7401 7402 7403 7404 .....9700 9701 9702 9703 9704

5200 5201 5202 5203 5204 .....7500 7501 7502 7503 7504 .....9800 9801 9802 9803 9804

5300 5301 5302 5303 5304 .....7600 7601 7602 7603 7604 .....9900 9901 9902 9903 9904