Title: Absorption spectra of electrified hydrogen molecules Author: Walker M.A. Table: Transitions of H2 in a uniform field ================================================================================ Byte-by-byte Description of file: datafile1.txt -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 14 E14.8 0.1nm Req Field strength parameterized as distance 16- 17 I2 --- vhat State label; vibrational 19- 20 I2 --- jhat State label; total angular momentum 22 I1 --- m Quantum number; z angular momentum 24- 38 E15.8 cm-1 WaveNum Wavenumber 40- 53 E14.8 Hz APara Einstein A21 parallel polarization 55- 68 E14.8 Hz APerp Einstein A21 perpendicular polarization 70- 83 E14.8 Hz Gamma Natural width of the upper state -------------------------------------------------------------------------------- Note (G1): Transitions connecting to the ground-state of either the para-H2 (nuclear spin singlet; jhat = 0,2,4...) or ortho-H2 (nuclear spin triplet; jhat = 1,3,5...) sequence. Req is the separation from a point-like, elementary charge that gives the field strength. Transitions are listed in order of increasing wavenumber, at fixed Req, first for para-H2 and then for ortho-H2; then Req is decreased and the pattern repeats. There are 99 distinct values of Req, equally spaced in log(Req) covering the range from 8 Angstrom down to 2 Angstrom. For each combination of Req and nuclear spin the first line is the ground state of the sequence, and the value listed in the wavenumber column is the eigenvalue of the Hamiltonian (which is negative in all cases), and APara, APerp and Gamma are all set to zero. -------------------------------------------------------------------------------- 0.80000000E+01 0 0 0 -0.36129451E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 2 0 0.35349477E+03 0.64426370E-03 0.00000000E+00 0.64426370E-03 0.80000000E+01 0 2 1 0.35390320E+03 0.00000000E+00 0.48325641E-03 0.48325641E-03 0.80000000E+01 0 4 0 0.11678307E+04 0.78893398E-07 0.00000000E+00 0.99479714E-02 0.80000000E+01 0 4 1 0.11679462E+04 0.00000000E+00 0.49247290E-07 0.93249727E-02 0.80000000E+01 1 0 0 0.41601739E+04 0.15363035E+01 0.00000000E+00 0.17436175E+01 0.80000000E+01 1 2 0 0.44957815E+04 0.10276479E+00 0.00000000E+00 0.22671435E+01 0.80000000E+01 1 2 1 0.44962809E+04 0.00000000E+00 0.77558678E-01 0.20023141E+01 0.80000000E+01 1 4 0 0.52692380E+04 0.22438422E-06 0.00000000E+00 0.22111053E+01 0.80000000E+01 1 4 1 0.52693792E+04 0.00000000E+00 0.14059162E-06 0.21368954E+01 0.80000000E+01 2 0 0 0.80849782E+04 0.10367332E+00 0.00000000E+00 0.32427478E+01 0.80000000E+01 2 2 0 0.84030707E+04 0.89272116E-03 0.00000000E+00 0.42225871E+01 0.80000000E+01 2 2 1 0.84036685E+04 0.00000000E+00 0.70268454E-03 0.37254962E+01 0.80000000E+01 2 4 0 0.91365284E+04 0.65686233E-08 0.00000000E+00 0.40997732E+01 0.80000000E+01 2 4 1 0.91366977E+04 0.00000000E+00 0.41293843E-08 0.39606008E+01 0.80000000E+01 3 0 0 0.11779301E+05 0.59881662E-02 0.00000000E+00 0.44787599E+01 0.80000000E+01 3 2 0 0.12080129E+05 0.10302442E-03 0.00000000E+00 0.58311066E+01 0.80000000E+01 3 2 1 0.12080831E+05 0.00000000E+00 0.72804840E-04 0.51428398E+01 0.80000000E+01 3 4 0 0.12774176E+05 0.51707832E-09 0.00000000E+00 0.56420511E+01 0.80000000E+01 3 4 1 0.12774375E+05 0.00000000E+00 0.32438118E-09 0.54489123E+01 0.80000000E+01 4 0 0 0.15246187E+05 0.68352068E-03 0.00000000E+00 0.54373284E+01 0.80000000E+01 4 2 0 0.15529865E+05 0.41539219E-04 0.00000000E+00 0.70659990E+01 0.80000000E+01 4 2 1 0.15530676E+05 0.00000000E+00 0.29718723E-04 0.62343012E+01 0.80000000E+01 4 4 0 0.16184763E+05 0.14513058E-09 0.00000000E+00 0.68160260E+01 0.80000000E+01 4 4 1 0.16184993E+05 0.00000000E+00 0.90649296E-10 0.65816482E+01 0.80000000E+01 5 0 0 0.18486651E+05 0.12967679E-03 0.00000000E+00 0.61171705E+01 0.80000000E+01 5 2 0 0.18753146E+05 0.10076007E-04 0.00000000E+00 0.79208580E+01 0.80000000E+01 5 2 1 0.18754065E+05 0.00000000E+00 0.71266050E-05 0.69961574E+01 0.80000000E+01 5 4 0 0.19368780E+05 0.56861584E-10 0.00000000E+00 0.76169117E+01 0.80000000E+01 5 4 1 0.19369043E+05 0.00000000E+00 0.35331353E-10 0.73548699E+01 0.80000000E+01 6 0 0 0.21499410E+05 0.40861336E-04 0.00000000E+00 0.65324463E+01 0.80000000E+01 6 2 0 0.21748504E+05 0.14720137E-05 0.00000000E+00 0.84174368E+01 0.80000000E+01 6 2 1 0.21749529E+05 0.00000000E+00 0.98363313E-06 0.74473368E+01 0.80000000E+01 6 4 0 0.22324317E+05 0.89402020E-11 0.00000000E+00 0.80726256E+01 0.80000000E+01 6 4 1 0.22324611E+05 0.00000000E+00 0.54605970E-11 0.77955781E+01 0.80000000E+01 7 0 0 0.24280486E+05 0.22727848E-04 0.00000000E+00 0.67101946E+01 0.80000000E+01 7 2 0 0.24511748E+05 0.53599848E-07 0.00000000E+00 0.85962336E+01 0.80000000E+01 7 2 1 0.24512869E+05 0.00000000E+00 0.64580138E-07 0.76218395E+01 0.80000000E+01 7 4 0 0.25046635E+05 0.55436998E-11 0.00000000E+00 0.82245762E+01 0.80000000E+01 7 4 1 0.25046957E+05 0.00000000E+00 0.36099889E-11 0.79434961E+01 0.80000000E+01 8 0 0 0.26822669E+05 0.15336444E-04 0.00000000E+00 0.66892780E+01 0.80000000E+01 8 2 0 0.27035391E+05 0.11132185E-05 0.00000000E+00 0.85185766E+01 0.80000000E+01 8 2 1 0.27036592E+05 0.00000000E+00 0.93052638E-06 0.75702381E+01 0.80000000E+01 8 4 0 0.27527550E+05 0.43571746E-10 0.00000000E+00 0.81348493E+01 0.80000000E+01 8 4 1 0.27527898E+05 0.00000000E+00 0.27742760E-10 0.78577575E+01 0.80000000E+01 9 0 0 0.29114736E+05 0.80914431E-05 0.00000000E+00 0.64999584E+01 0.80000000E+01 9 2 0 0.29307854E+05 0.12747107E-05 0.00000000E+00 0.82313465E+01 0.80000000E+01 9 2 1 0.29309107E+05 0.00000000E+00 0.10386214E-05 0.73305659E+01 0.80000000E+01 9 4 0 0.29754569E+05 0.56717234E-10 0.00000000E+00 0.78450333E+01 0.80000000E+01 9 4 1 0.29754933E+05 0.00000000E+00 0.35990267E-10 0.75778287E+01 0.80000000E+01 10 0 0 0.31140376E+05 0.23137298E-05 0.00000000E+00 0.61393413E+01 0.80000000E+01 10 2 0 0.31312334E+05 0.42830568E-06 0.00000000E+00 0.77330576E+01 0.80000000E+01 10 2 1 0.31313601E+05 0.00000000E+00 0.34800412E-06 0.68990939E+01 0.80000000E+01 10 4 0 0.31709634E+05 0.21991367E-10 0.00000000E+00 0.73436448E+01 0.80000000E+01 10 4 1 0.31710002E+05 0.00000000E+00 0.13893628E-10 0.70924131E+01 0.80000000E+01 11 0 0 0.32876623E+05 0.83703794E-07 0.00000000E+00 0.55555685E+01 0.80000000E+01 11 2 0 0.33025173E+05 0.46830921E-10 0.00000000E+00 0.69524188E+01 0.80000000E+01 11 2 1 0.33026396E+05 0.00000000E+00 0.53856518E-10 0.62117247E+01 0.80000000E+01 12 0 0 0.34291599E+05 0.30908003E-06 0.00000000E+00 0.46544507E+01 0.80000000E+01 12 2 0 0.34413426E+05 0.25033478E-06 0.00000000E+00 0.57634115E+01 0.80000000E+01 12 2 1 0.34414526E+05 0.00000000E+00 0.20218731E-06 0.51556743E+01 0.80000000E+01 12 4 0 0.34691723E+05 0.20291982E-10 0.00000000E+00 0.53191482E+01 0.80000000E+01 12 4 1 0.34692040E+05 0.00000000E+00 0.13139722E-10 0.51342300E+01 0.80000000E+01 13 0 0 0.35341152E+05 0.82460103E-06 0.00000000E+00 0.33354822E+01 0.80000000E+01 13 2 0 0.35431137E+05 0.50302281E-06 0.00000000E+00 0.40344706E+01 0.80000000E+01 13 2 1 0.35432001E+05 0.00000000E+00 0.40864039E-06 0.36135674E+01 0.80000000E+01 13 4 0 0.35632003E+05 0.41958848E-10 0.00000000E+00 0.35115463E+01 0.80000000E+01 13 4 1 0.35632242E+05 0.00000000E+00 0.27114130E-10 0.33894197E+01 0.80000000E+01 14 0 0 0.35964281E+05 0.57558061E-06 0.00000000E+00 0.15326108E+01 0.80000000E+01 14 2 0 0.36013403E+05 0.30459032E-06 0.00000000E+00 0.16702251E+01 0.80000000E+01 14 2 1 0.36013844E+05 0.00000000E+00 0.24945526E-06 0.15007403E+01 0.80000000E+01 0 1 0 -0.36012129E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 1 1 0.17212478E+01 0.00000000E+00 0.33195119E-10 0.33195119E-10 0.80000000E+01 0 3 0 0.58730199E+03 0.22994695E-02 0.00000000E+00 0.34442652E-02 0.80000000E+01 0 3 1 0.58749625E+03 0.00000000E+00 0.15318272E-02 0.30605442E-02 0.80000000E+01 0 5 0 0.16217963E+04 0.37859599E-07 0.00000000E+00 0.21645915E-01 0.80000000E+01 0 5 1 0.16218737E+04 0.00000000E+00 0.22685081E-07 0.20778685E-01 0.80000000E+01 1 1 0 0.41540010E+04 0.22820436E+01 0.00000000E+00 0.25002429E+01 0.80000000E+01 1 1 1 0.41561136E+04 0.00000000E+00 0.42164237E-01 0.13535088E+01 0.80000000E+01 1 3 0 0.47120022E+04 0.83224492E-01 0.00000000E+00 0.22283434E+01 0.80000000E+01 1 3 1 0.47122401E+04 0.00000000E+00 0.55745619E-01 0.21022153E+01 0.80000000E+01 1 5 0 0.56943477E+04 0.22826798E-07 0.00000000E+00 0.22032889E+01 0.80000000E+01 1 5 1 0.56944423E+04 0.00000000E+00 0.13728858E-07 0.21540443E+01 0.80000000E+01 2 1 0 0.80727391E+04 0.11402312E+00 0.00000000E+00 0.46726862E+01 0.80000000E+01 2 1 1 0.80752788E+04 0.00000000E+00 0.13578590E-03 0.24998736E+01 0.80000000E+01 2 3 0 0.86020866E+04 0.11857973E-02 0.00000000E+00 0.41438302E+01 0.80000000E+01 2 3 1 0.86023719E+04 0.00000000E+00 0.80905314E-03 0.39064252E+01 0.80000000E+01 2 5 0 0.95333900E+04 0.97501896E-09 0.00000000E+00 0.40674490E+01 0.80000000E+01 2 5 1 0.95335034E+04 0.00000000E+00 0.58670082E-09 0.39756959E+01 0.80000000E+01 3 1 0 0.11761064E+05 0.42186204E-02 0.00000000E+00 0.64741550E+01 0.80000000E+01 3 1 1 0.11764062E+05 0.00000000E+00 0.89793829E-04 0.34328980E+01 0.80000000E+01 3 3 0 0.12262197E+05 0.36147905E-04 0.00000000E+00 0.57153655E+01 0.80000000E+01 3 3 1 0.12262532E+05 0.00000000E+00 0.22956173E-04 0.53852100E+01 0.80000000E+01 3 5 0 0.13143186E+05 0.33514235E-09 0.00000000E+00 0.55806807E+01 0.80000000E+01 3 5 1 0.13143320E+05 0.00000000E+00 0.20103001E-09 0.54538449E+01 0.80000000E+01 4 1 0 0.15221979E+05 0.38654458E-03 0.00000000E+00 0.78703947E+01 0.80000000E+01 4 1 1 0.15225459E+05 0.00000000E+00 0.24314716E-04 0.41492095E+01 0.80000000E+01 4 3 0 0.15695101E+05 0.23367889E-04 0.00000000E+00 0.69186125E+01 0.80000000E+01 4 3 1 0.15695490E+05 0.00000000E+00 0.15116712E-04 0.65173437E+01 0.80000000E+01 4 5 0 0.16526084E+05 0.13579221E-09 0.00000000E+00 0.67238552E+01 0.80000000E+01 4 5 1 0.16526238E+05 0.00000000E+00 0.81262033E-10 0.65704189E+01 0.80000000E+01 5 1 0 0.18456457E+05 0.71095229E-04 0.00000000E+00 0.88506704E+01 0.80000000E+01 5 1 1 0.18460430E+05 0.00000000E+00 0.49811748E-05 0.46533044E+01 0.80000000E+01 5 3 0 0.18901507E+05 0.65895532E-05 0.00000000E+00 0.77478724E+01 0.80000000E+01 5 3 1 0.18901950E+05 0.00000000E+00 0.42379679E-05 0.72985898E+01 0.80000000E+01 5 5 0 0.19682302E+05 0.56823508E-10 0.00000000E+00 0.74933547E+01 0.80000000E+01 5 5 1 0.19682477E+05 0.00000000E+00 0.33894706E-10 0.73223281E+01 0.80000000E+01 6 1 0 0.21463159E+05 0.28266273E-04 0.00000000E+00 0.94345226E+01 0.80000000E+01 6 1 1 0.21467622E+05 0.00000000E+00 0.62073388E-06 0.49587002E+01 0.80000000E+01 6 3 0 0.21879758E+05 0.11009485E-05 0.00000000E+00 0.82273434E+01 0.80000000E+01 6 3 1 0.21880254E+05 0.00000000E+00 0.68431209E-06 0.77518598E+01 0.80000000E+01 6 5 0 0.22609605E+05 0.11170878E-10 0.00000000E+00 0.79215089E+01 0.80000000E+01 6 5 1 0.22609801E+05 0.00000000E+00 0.65899626E-11 0.77411551E+01 0.80000000E+01 7 1 0 0.24238051E+05 0.25110161E-04 0.00000000E+00 0.96647707E+01 0.80000000E+01 7 1 1 0.24242976E+05 0.00000000E+00 0.43868156E-07 0.50859009E+01 0.80000000E+01 7 3 0 0.24625430E+05 0.28755148E-07 0.00000000E+00 0.83973562E+01 0.80000000E+01 7 3 1 0.24625974E+05 0.00000000E+00 0.27921347E-07 0.79146796E+01 0.80000000E+01 7 5 0 0.25302853E+05 0.23290497E-11 0.00000000E+00 0.80514952E+01 0.80000000E+01 7 5 1 0.25303068E+05 0.00000000E+00 0.14631629E-11 0.78689021E+01 0.80000000E+01 8 1 0 0.26773847E+05 0.23988200E-04 0.00000000E+00 0.96086411E+01 0.80000000E+01 8 1 1 0.26779172E+05 0.00000000E+00 0.55121046E-06 0.50608654E+01 0.80000000E+01 8 3 0 0.27130740E+05 0.87416725E-06 0.00000000E+00 0.83190211E+01 0.80000000E+01 8 3 1 0.27131326E+05 0.00000000E+00 0.62657068E-06 0.78432215E+01 0.80000000E+01 8 5 0 0.27753349E+05 0.30384335E-10 0.00000000E+00 0.79464994E+01 0.80000000E+01 8 5 1 0.27753580E+05 0.00000000E+00 0.18493522E-10 0.77667619E+01 0.80000000E+01 9 1 0 0.29059229E+05 0.15022781E-04 0.00000000E+00 0.93195353E+01 0.80000000E+01 9 1 1 0.29064848E+05 0.00000000E+00 0.55838733E-06 0.49025711E+01 0.80000000E+01 9 3 0 0.29383722E+05 0.11676827E-05 0.00000000E+00 0.80364289E+01 0.80000000E+01 9 3 1 0.29384338E+05 0.00000000E+00 0.81952854E-06 0.75777752E+01 0.80000000E+01 9 5 0 0.29947918E+05 0.46266915E-10 0.00000000E+00 0.76449258E+01 0.80000000E+01 9 5 1 0.29948159E+05 0.00000000E+00 0.28023981E-10 0.74718241E+01 0.80000000E+01 10 1 0 0.31077753E+05 0.44234498E-05 0.00000000E+00 0.87972844E+01 0.80000000E+01 10 1 1 0.31083500E+05 0.00000000E+00 0.14521044E-06 0.46071709E+01 0.80000000E+01 10 3 0 0.31367046E+05 0.53640716E-06 0.00000000E+00 0.75433660E+01 0.80000000E+01 10 3 1 0.31367671E+05 0.00000000E+00 0.37263075E-06 0.71119548E+01 0.80000000E+01 10 5 0 0.31867552E+05 0.25092718E-10 0.00000000E+00 0.71284471E+01 0.80000000E+01 10 5 1 0.31867796E+05 0.00000000E+00 0.15113600E-10 0.69661082E+01 0.80000000E+01 11 1 0 0.32806269E+05 0.72462766E-07 0.00000000E+00 0.79606323E+01 0.80000000E+01 11 1 1 0.32811892E+05 0.00000000E+00 0.75688236E-08 0.41396081E+01 0.80000000E+01 11 3 0 0.33056293E+05 0.37463404E-07 0.00000000E+00 0.67625835E+01 0.80000000E+01 11 3 1 0.33056899E+05 0.00000000E+00 0.24953437E-07 0.63737071E+01 0.80000000E+01 11 5 0 0.33485387E+05 0.21556229E-11 0.00000000E+00 0.63044066E+01 0.80000000E+01 11 5 1 0.33485620E+05 0.00000000E+00 0.12560409E-11 0.61595398E+01 0.80000000E+01 12 1 0 0.34212607E+05 0.10912102E-05 0.00000000E+00 0.66616540E+01 0.80000000E+01 12 1 1 0.34217740E+05 0.00000000E+00 0.19353804E-06 0.34382174E+01 0.80000000E+01 12 3 0 0.34417355E+05 0.67269455E-07 0.00000000E+00 0.55632403E+01 0.80000000E+01 12 3 1 0.34417900E+05 0.00000000E+00 0.49169194E-07 0.52412317E+01 0.80000000E+01 12 5 0 0.34763416E+05 0.30632047E-11 0.00000000E+00 0.50309116E+01 0.80000000E+01 12 5 1 0.34763621E+05 0.00000000E+00 0.19402284E-11 0.49142650E+01 0.80000000E+01 13 1 0 0.35252112E+05 0.25192156E-05 0.00000000E+00 0.47462388E+01 0.80000000E+01 13 1 1 0.35256220E+05 0.00000000E+00 0.33023246E-06 0.24369350E+01 0.80000000E+01 13 3 0 0.35402245E+05 0.22175819E-06 0.00000000E+00 0.38093388E+01 0.80000000E+01 13 3 1 0.35402668E+05 0.00000000E+00 0.15914567E-06 0.35881943E+01 0.80000000E+01 13 5 0 0.35646324E+05 0.10811926E-10 0.00000000E+00 0.31511925E+01 0.80000000E+01 13 5 1 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