Title: Absorption spectra of electrified hydrogen molecules Author: Walker M.A. Table: Transitions of H2 in the field of a charge q = +e ================================================================================ Byte-by-byte Description of file: datafile2.txt -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 14 E14.8 0.1nm R Distance from a point-like charge q = +e 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. R is the separation from a point-like, elementary charge q = +e. Transitions are listed in order of increasing wavenumber, at fixed R, first for para-H2 and then for ortho-H2; then R is decreased and the pattern repeats. There are 99 distinct values of R, equally spaced in log(R) covering the range from 8 Angstrom down to 2 Angstrom. For each combination of R 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 -0.36130078E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 2 1 0.35858861E+03 0.00000000E+00 0.48218100E-03 0.48219198E-03 0.80000000E+01 0 2 0 0.36301186E+03 0.68032214E-03 0.00000000E+00 0.68032237E-03 0.80000000E+01 0 4 1 0.11753055E+04 0.00000000E+00 0.35392560E-05 0.94182994E-02 0.80000000E+01 0 4 0 0.11764334E+04 0.59503688E-05 0.00000000E+00 0.10072056E-01 0.80000000E+01 0 6 1 0.24217638E+04 0.00000000E+00 0.88909002E-10 0.39164980E-01 0.80000000E+01 0 6 0 0.24222972E+04 0.17270028E-09 0.00000000E+00 0.40324318E-01 0.80000000E+01 1 0 0 0.41600394E+04 0.14972571E+01 0.00000000E+00 0.16926279E+01 0.80000000E+01 1 2 1 0.45013648E+04 0.00000000E+00 0.74066728E-01 0.20104628E+01 0.80000000E+01 1 2 0 0.45062697E+04 0.10762193E+00 0.00000000E+00 0.23678303E+01 0.80000000E+01 1 4 1 0.52774340E+04 0.00000000E+00 0.99039704E-05 0.21838947E+01 0.80000000E+01 1 4 0 0.52786690E+04 0.17526635E-04 0.00000000E+00 0.22660036E+01 0.80000000E+01 1 6 1 0.64608231E+04 0.00000000E+00 0.12987142E-09 0.22140567E+01 0.80000000E+01 1 6 0 0.64614050E+04 0.21101379E-09 0.00000000E+00 0.22522098E+01 0.80000000E+01 2 0 0 0.80846936E+04 0.10316649E+00 0.00000000E+00 0.31247692E+01 0.80000000E+01 2 2 1 0.84091353E+04 0.00000000E+00 0.71881120E-03 0.37348312E+01 0.80000000E+01 2 2 0 0.84145195E+04 0.10557752E-02 0.00000000E+00 0.44309573E+01 0.80000000E+01 2 4 1 0.91454320E+04 0.00000000E+00 0.78231527E-06 0.40531313E+01 0.80000000E+01 2 4 0 0.91467702E+04 0.12544536E-05 0.00000000E+00 0.42089718E+01 0.80000000E+01 2 6 1 0.10267060E+05 0.00000000E+00 0.11334449E-10 0.40674076E+01 0.80000000E+01 2 6 0 0.10267688E+05 0.19417925E-10 0.00000000E+00 0.41384145E+01 0.80000000E+01 3 0 0 0.11778852E+05 0.61514355E-02 0.00000000E+00 0.42815940E+01 0.80000000E+01 3 2 1 0.12086658E+05 0.00000000E+00 0.67626664E-04 0.51467827E+01 0.80000000E+01 3 2 0 0.12092511E+05 0.76915775E-04 0.00000000E+00 0.61487758E+01 0.80000000E+01 3 4 1 0.12783760E+05 0.00000000E+00 0.19990413E-07 0.55835421E+01 0.80000000E+01 3 4 0 0.12785196E+05 0.30846754E-07 0.00000000E+00 0.58025159E+01 0.80000000E+01 3 6 1 0.13844467E+05 0.00000000E+00 0.35345742E-11 0.55651843E+01 0.80000000E+01 3 6 0 0.13845139E+05 0.60001578E-11 0.00000000E+00 0.56636106E+01 0.80000000E+01 4 0 0 0.15245561E+05 0.71489706E-03 0.00000000E+00 0.51542606E+01 0.80000000E+01 4 2 1 0.15536830E+05 0.00000000E+00 0.28449506E-04 0.62272087E+01 0.80000000E+01 4 2 0 0.15543132E+05 0.32204941E-04 0.00000000E+00 0.74877794E+01 0.80000000E+01 4 4 1 0.16194984E+05 0.00000000E+00 0.22754212E-09 0.67526807E+01 0.80000000E+01 4 4 0 0.16196509E+05 0.33546630E-09 0.00000000E+00 0.70218052E+01 0.80000000E+01 5 0 0 0.18485840E+05 0.13656267E-03 0.00000000E+00 0.57478358E+01 0.80000000E+01 5 2 1 0.18760502E+05 0.00000000E+00 0.68512819E-05 0.69739077E+01 0.80000000E+01 5 2 0 0.18767220E+05 0.73777794E-05 0.00000000E+00 0.84348459E+01 0.80000000E+01 5 4 1 0.19379573E+05 0.00000000E+00 0.27328146E-10 0.75546170E+01 0.80000000E+01 5 4 0 0.19381177E+05 0.46923234E-10 0.00000000E+00 0.78593593E+01 0.80000000E+01 6 0 0 0.21498408E+05 0.42448655E-04 0.00000000E+00 0.60822932E+01 0.80000000E+01 6 2 1 0.21756189E+05 0.00000000E+00 0.93216356E-06 0.74074887E+01 0.80000000E+01 6 2 0 0.21763273E+05 0.81443731E-06 0.00000000E+00 0.90061150E+01 0.80000000E+01 6 4 1 0.22335589E+05 0.00000000E+00 0.73938122E-10 0.80150695E+01 0.80000000E+01 6 4 0 0.22337256E+05 0.12515246E-09 0.00000000E+00 0.83412001E+01 0.80000000E+01 7 0 0 0.24279296E+05 0.22527441E-04 0.00000000E+00 0.61893984E+01 0.80000000E+01 7 2 1 0.24519674E+05 0.00000000E+00 0.68956116E-07 0.75637239E+01 0.80000000E+01 7 2 0 0.24527051E+05 0.23602519E-06 0.00000000E+00 0.92386425E+01 0.80000000E+01 7 4 1 0.25058253E+05 0.00000000E+00 0.82736188E-10 0.81732694E+01 0.80000000E+01 7 4 0 0.25059965E+05 0.14624470E-09 0.00000000E+00 0.85077904E+01 0.80000000E+01 8 0 0 0.26821301E+05 0.14417059E-04 0.00000000E+00 0.61100913E+01 0.80000000E+01 8 2 1 0.27043434E+05 0.00000000E+00 0.92167861E-06 0.74944564E+01 0.80000000E+01 8 2 0 0.27050999E+05 0.16313705E-05 0.00000000E+00 0.91936256E+01 0.80000000E+01 8 4 1 0.27539332E+05 0.00000000E+00 0.62876634E-10 0.80891306E+01 0.80000000E+01 8 4 0 0.27541062E+05 0.11870544E-09 0.00000000E+00 0.84219133E+01 0.80000000E+01 9 0 0 0.29113214E+05 0.73188853E-05 0.00000000E+00 0.58762169E+01 0.80000000E+01 9 2 1 0.29315844E+05 0.00000000E+00 0.10180456E-05 0.72387420E+01 0.80000000E+01 9 2 0 0.29323448E+05 0.16888207E-05 0.00000000E+00 0.89187876E+01 0.80000000E+01 9 4 1 0.29766259E+05 0.00000000E+00 0.13607199E-10 0.78030147E+01 0.80000000E+01 9 4 0 0.29767971E+05 0.30804746E-10 0.00000000E+00 0.81261096E+01 0.80000000E+01 10 0 0 0.31138740E+05 0.20641642E-05 0.00000000E+00 0.54900899E+01 0.80000000E+01 10 2 1 0.31320034E+05 0.00000000E+00 0.33831855E-06 0.67940636E+01 0.80000000E+01 10 2 0 0.31327462E+05 0.55743203E-06 0.00000000E+00 0.84097733E+01 0.80000000E+01 10 4 1 0.31720871E+05 0.00000000E+00 0.13484247E-10 0.73029061E+01 0.80000000E+01 10 4 0 0.31722516E+05 0.17214448E-10 0.00000000E+00 0.76079868E+01 0.80000000E+01 11 0 0 0.32874941E+05 0.87959541E-07 0.00000000E+00 0.49141127E+01 0.80000000E+01 11 2 1 0.33032249E+05 0.00000000E+00 0.26370674E-10 0.60988062E+01 0.80000000E+01 11 2 0 0.33039185E+05 0.23268838E-09 0.00000000E+00 0.75816943E+01 0.80000000E+01 11 4 1 0.33377536E+05 0.00000000E+00 0.13078988E-09 0.65039842E+01 0.80000000E+01 11 4 0 0.33379042E+05 0.21480874E-09 0.00000000E+00 0.67780299E+01 0.80000000E+01 12 0 0 0.34289975E+05 0.21879250E-06 0.00000000E+00 0.40805697E+01 0.80000000E+01 12 2 1 0.34419395E+05 0.00000000E+00 0.19859664E-06 0.50481357E+01 0.80000000E+01 12 2 0 0.34425358E+05 0.30657738E-06 0.00000000E+00 0.62886561E+01 0.80000000E+01 12 4 1 0.34700239E+05 0.00000000E+00 0.24963435E-09 0.52757875E+01 0.80000000E+01 12 4 0 0.34701500E+05 0.43378226E-09 0.00000000E+00 0.54987525E+01 0.80000000E+01 13 0 0 0.35339738E+05 0.62247175E-06 0.00000000E+00 0.29270132E+01 0.80000000E+01 13 2 1 0.35435271E+05 0.00000000E+00 0.39993131E-06 0.35495287E+01 0.80000000E+01 13 2 0 0.35439505E+05 0.61955116E-06 0.00000000E+00 0.44143696E+01 0.80000000E+01 13 4 1 0.35637525E+05 0.00000000E+00 0.20373021E-09 0.35104923E+01 0.80000000E+01 13 4 0 0.35638369E+05 0.36267446E-09 0.00000000E+00 0.36612663E+01 0.80000000E+01 14 0 0 0.35963171E+05 0.48444251E-06 0.00000000E+00 0.14214371E+01 0.80000000E+01 14 2 1 0.36014143E+05 0.00000000E+00 0.24623010E-06 0.15334149E+01 0.80000000E+01 14 2 0 0.36015386E+05 0.36626626E-06 0.00000000E+00 0.18881451E+01 0.80000000E+01 0 1 1 -0.36016874E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 1 0 0.16589105E+02 0.00000000E+00 0.28988423E-07 0.57976846E-07 0.80000000E+01 0 3 2 0.59252933E+03 0.00000000E+00 0.18981935E-02 0.18981984E-02 0.80000000E+01 0 3 1 0.59826635E+03 0.16026038E-02 0.00000000E+00 0.30977411E-02 0.80000000E+01 0 3 0 0.60021181E+03 0.00000000E+00 0.57577656E-03 0.35053732E-02 0.80000000E+01 0 5 2 0.16315046E+04 0.00000000E+00 0.11325847E-05 0.18263665E-01 0.80000000E+01 0 5 1 0.16337357E+04 0.13673046E-05 0.00000000E+00 0.20968317E-01 0.80000000E+01 0 5 0 0.16344811E+04 0.00000000E+00 0.53556766E-06 0.21874973E-01 0.80000000E+01 1 1 1 0.41536830E+04 0.12062775E+01 0.00000000E+00 0.13428476E+01 0.80000000E+01 1 1 0 0.41718020E+04 0.00000000E+00 0.41220959E-01 0.25123773E+01 0.80000000E+01 1 3 2 0.47173520E+04 0.00000000E+00 0.66997839E-01 0.17303325E+01 0.80000000E+01 1 3 1 0.47236366E+04 0.57685626E-01 0.00000000E+00 0.21465525E+01 0.80000000E+01 1 3 0 0.47257746E+04 0.00000000E+00 0.19356862E-01 0.22925274E+01 0.80000000E+01 1 5 2 0.57045941E+04 0.00000000E+00 0.43019074E-06 0.20414329E+01 0.80000000E+01 1 5 1 0.57070312E+04 0.57010924E-06 0.00000000E+00 0.22009734E+01 0.80000000E+01 1 5 0 0.57078458E+04 0.00000000E+00 0.19827095E-06 0.22545598E+01 0.80000000E+01 1 7 2 0.70794892E+04 0.00000000E+00 0.47639415E-10 0.21427313E+01 0.80000000E+01 1 7 1 0.70808052E+04 0.63595535E-10 0.00000000E+00 0.22290155E+01 0.80000000E+01 1 7 0 0.70812443E+04 0.00000000E+00 0.27774877E-10 0.22578659E+01 0.80000000E+01 2 1 1 0.80721434E+04 0.99446980E-01 0.00000000E+00 0.24718320E+01 0.80000000E+01 2 1 0 0.80917197E+04 0.00000000E+00 0.15670316E-03 0.46873212E+01 0.80000000E+01 2 3 2 0.86075686E+04 0.00000000E+00 0.10336828E-02 0.32014455E+01 0.80000000E+01 2 3 1 0.86143807E+04 0.85394994E-03 0.00000000E+00 0.39934695E+01 0.80000000E+01 2 3 0 0.86167063E+04 0.00000000E+00 0.30758254E-03 0.42735819E+01 0.80000000E+01 2 5 2 0.95441668E+04 0.00000000E+00 0.17141079E-06 0.37678929E+01 0.80000000E+01 2 5 1 0.95468010E+04 0.19592386E-06 0.00000000E+00 0.40676376E+01 0.80000000E+01 2 5 0 0.95476819E+04 0.00000000E+00 0.80644167E-07 0.41684204E+01 0.80000000E+01 3 1 1 0.11760237E+05 0.71089440E-02 0.00000000E+00 0.33821636E+01 0.80000000E+01 3 1 0 0.11781172E+05 0.00000000E+00 0.84813754E-04 0.64816011E+01 0.80000000E+01 3 3 2 0.12267818E+05 0.00000000E+00 0.26255833E-04 0.43974419E+01 0.80000000E+01 3 3 1 0.12275128E+05 0.18884895E-04 0.00000000E+00 0.55114775E+01 0.80000000E+01 3 3 0 0.12277633E+05 0.00000000E+00 0.68129982E-05 0.59090772E+01 0.80000000E+01 3 5 2 0.13154475E+05 0.00000000E+00 0.14849595E-07 0.51691253E+01 0.80000000E+01 3 5 1 0.13157294E+05 0.16712182E-07 0.00000000E+00 0.55869812E+01 0.80000000E+01 3 5 0 0.13158237E+05 0.00000000E+00 0.70229661E-08 0.57276282E+01 0.80000000E+01 4 1 1 0.15220974E+05 0.88036570E-03 0.00000000E+00 0.40725044E+01 0.80000000E+01 4 1 0 0.15243133E+05 0.00000000E+00 0.23763998E-04 0.78616100E+01 0.80000000E+01 4 3 2 0.15700867E+05 0.00000000E+00 0.18290883E-04 0.53074281E+01 0.80000000E+01 4 3 1 0.15708632E+05 0.13120995E-04 0.00000000E+00 0.66772793E+01 0.80000000E+01 4 3 0 0.15711305E+05 0.00000000E+00 0.50008500E-05 0.71709758E+01 0.80000000E+01 4 5 2 0.16537855E+05 0.00000000E+00 0.10776590E-08 0.62289727E+01 0.80000000E+01 4 5 1 0.16540841E+05 0.12046208E-08 0.00000000E+00 0.67387119E+01 0.80000000E+01 4 5 0 0.16541840E+05 0.00000000E+00 0.51181191E-09 0.69104744E+01 0.80000000E+01 5 1 1 0.18455333E+05 0.16802305E-03 0.00000000E+00 0.45497804E+01 0.80000000E+01 5 1 0 0.18478544E+05 0.00000000E+00 0.49218688E-05 0.88181404E+01 0.80000000E+01 5 3 2 0.18907414E+05 0.00000000E+00 0.51794468E-05 0.59330354E+01 0.80000000E+01 5 3 1 0.18915580E+05 0.36057395E-05 0.00000000E+00 0.74849269E+01 0.80000000E+01 5 3 0 0.18918404E+05 0.00000000E+00 0.14268333E-05 0.80500438E+01 0.80000000E+01 5 5 2 0.19694506E+05 0.00000000E+00 0.60373195E-10 0.69449551E+01 0.80000000E+01 5 5 1 0.19697637E+05 0.65342058E-10 0.00000000E+00 0.75177436E+01 0.80000000E+01 5 5 0 0.19698685E+05 0.00000000E+00 0.29055447E-10 0.77109603E+01 0.80000000E+01 6 1 1 0.21461983E+05 0.48003716E-04 0.00000000E+00 0.48298269E+01 0.80000000E+01 6 1 0 0.21486024E+05 0.00000000E+00 0.60921776E-06 0.93724761E+01 0.80000000E+01 6 3 2 0.21885799E+05 0.00000000E+00 0.82758318E-06 0.62949381E+01 0.80000000E+01 6 3 1 0.21894290E+05 0.52062440E-06 0.00000000E+00 0.79562192E+01 0.80000000E+01 6 3 0 0.21897240E+05 0.00000000E+00 0.23050593E-06 0.85676543E+01 0.80000000E+01 6 5 2 0.22622172E+05 0.00000000E+00 0.40749841E-11 0.73460973E+01 0.80000000E+01 6 5 1 0.22625416E+05 0.58751060E-11 0.00000000E+00 0.79545330E+01 0.80000000E+01 6 5 0 0.22626503E+05 0.00000000E+00 0.17869603E-11 0.81599812E+01 0.80000000E+01 7 1 1 0.24236896E+05 0.21205367E-04 0.00000000E+00 0.49351199E+01 0.80000000E+01 7 1 0 0.24261483E+05 0.00000000E+00 0.47604135E-07 0.95695896E+01 0.80000000E+01 7 3 2 0.24631585E+05 0.00000000E+00 0.38927913E-07 0.64238521E+01 0.80000000E+01 7 3 1 0.24640301E+05 0.62270200E-07 0.00000000E+00 0.81284090E+01 0.80000000E+01 7 3 0 0.24643347E+05 0.00000000E+00 0.94347500E-08 0.87625312E+01 0.80000000E+01 7 5 2 0.25315681E+05 0.00000000E+00 0.66253226E-10 0.74710087E+01 0.80000000E+01 7 5 1 0.25319000E+05 0.83385400E-10 0.00000000E+00 0.80906356E+01 0.80000000E+01 7 5 0 0.25320112E+05 0.00000000E+00 0.30773920E-10 0.83000428E+01 0.80000000E+01 8 1 1 0.26772795E+05 0.11594626E-04 0.00000000E+00 0.48925980E+01 0.80000000E+01 8 1 0 0.26797556E+05 0.00000000E+00 0.56672281E-06 0.94784943E+01 0.80000000E+01 8 3 2 0.27136976E+05 0.00000000E+00 0.79394146E-06 0.63621923E+01 0.80000000E+01 8 3 1 0.27145786E+05 0.74064533E-06 0.00000000E+00 0.80584549E+01 0.80000000E+01 8 3 0 0.27148882E+05 0.00000000E+00 0.20996646E-06 0.86960908E+01 0.80000000E+01 8 5 2 0.27766296E+05 0.00000000E+00 0.12292438E-09 0.73758144E+01 0.80000000E+01 8 5 1 0.27769635E+05 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