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: datafile1.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 the separation of the molecule 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 -0.36130214E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 2 0 0.34570893E+03 0.64714783E-03 0.00000000E+00 0.64714783E-03 0.80000000E+01 0 2 1 0.34997736E+03 0.00000000E+00 0.46922604E-03 0.46922611E-03 0.80000000E+01 0 4 0 0.11603530E+04 0.13245084E-04 0.00000000E+00 0.10028004E-01 0.80000000E+01 0 4 1 0.11616799E+04 0.00000000E+00 0.78927865E-05 0.93607861E-02 0.80000000E+01 0 6 0 0.24061341E+04 0.63026845E-08 0.00000000E+00 0.40224977E-01 0.80000000E+01 0 6 1 0.24067764E+04 0.00000000E+00 0.34971089E-08 0.39052460E-01 0.80000000E+01 0 8 0 0.40426215E+04 0.15358048E-11 0.00000000E+00 0.10209075E+00 0.80000000E+01 1 0 0 0.41599534E+04 0.15808146E+01 0.00000000E+00 0.18003734E+01 0.80000000E+01 1 2 0 0.44871683E+04 0.10419119E+00 0.00000000E+00 0.21939802E+01 0.80000000E+01 1 2 1 0.44918246E+04 0.00000000E+00 0.77169216E-01 0.19954649E+01 0.80000000E+01 1 4 0 0.52609011E+04 0.56925530E-04 0.00000000E+00 0.21829174E+01 0.80000000E+01 1 4 1 0.52623791E+04 0.00000000E+00 0.34538119E-04 0.21096155E+01 0.80000000E+01 1 6 0 0.64435788E+04 0.25088611E-08 0.00000000E+00 0.21797461E+01 0.80000000E+01 1 6 1 0.64442942E+04 0.00000000E+00 0.14531402E-08 0.21440009E+01 0.80000000E+01 2 0 0 0.80844917E+04 0.10425980E+00 0.00000000E+00 0.33757579E+01 0.80000000E+01 2 2 0 0.83936693E+04 0.61467223E-03 0.00000000E+00 0.40683686E+01 0.80000000E+01 2 2 1 0.83986772E+04 0.00000000E+00 0.74447890E-03 0.37179752E+01 0.80000000E+01 2 4 0 0.91273471E+04 0.61244589E-06 0.00000000E+00 0.40453745E+01 0.80000000E+01 2 4 1 0.91289757E+04 0.00000000E+00 0.42875822E-06 0.39082359E+01 0.80000000E+01 2 6 0 0.10248235E+05 0.47781734E-11 0.00000000E+00 0.39985774E+01 0.80000000E+01 2 6 1 0.10249023E+05 0.00000000E+00 0.30119397E-11 0.39325530E+01 0.80000000E+01 3 0 0 0.11778499E+05 0.58068773E-02 0.00000000E+00 0.47042849E+01 0.80000000E+01 3 2 0 0.12069996E+05 0.15241749E-03 0.00000000E+00 0.55907095E+01 0.80000000E+01 3 2 1 0.12075307E+05 0.00000000E+00 0.71046744E-04 0.51406299E+01 0.80000000E+01 3 4 0 0.12764178E+05 0.34998002E-09 0.00000000E+00 0.55643292E+01 0.80000000E+01 3 4 1 0.12765955E+05 0.00000000E+00 0.74007236E-09 0.53744940E+01 0.80000000E+01 4 0 0 0.15245014E+05 0.64794723E-03 0.00000000E+00 0.57663509E+01 0.80000000E+01 4 2 0 0.15519077E+05 0.55490405E-04 0.00000000E+00 0.67381484E+01 0.80000000E+01 4 2 1 0.15524628E+05 0.00000000E+00 0.29828198E-04 0.62427796E+01 0.80000000E+01 4 4 0 0.16173994E+05 0.19366467E-10 0.00000000E+00 0.67185845E+01 0.80000000E+01 4 4 1 0.16175912E+05 0.00000000E+00 0.61227580E-10 0.64889074E+01 0.80000000E+01 5 0 0 0.18485054E+05 0.12158470E-03 0.00000000E+00 0.65540272E+01 0.80000000E+01 5 2 0 0.18741802E+05 0.13964747E-04 0.00000000E+00 0.75081580E+01 0.80000000E+01 5 2 1 0.18747515E+05 0.00000000E+00 0.71964070E-05 0.70195629E+01 0.80000000E+01 5 4 0 0.19357307E+05 0.88787841E-10 0.00000000E+00 0.75035748E+01 0.80000000E+01 5 4 1 0.19359357E+05 0.00000000E+00 0.86647237E-10 0.72477954E+01 0.80000000E+01 6 0 0 0.21497334E+05 0.38807510E-04 0.00000000E+00 0.70749781E+01 0.80000000E+01 6 2 0 0.21736732E+05 0.25822355E-05 0.00000000E+00 0.79256034E+01 0.80000000E+01 6 2 1 0.21742514E+05 0.00000000E+00 0.98827271E-06 0.74886370E+01 0.80000000E+01 6 4 0 0.22312233E+05 0.16903220E-11 0.00000000E+00 0.79467553E+01 0.80000000E+01 6 4 1 0.22314400E+05 0.00000000E+00 0.43672570E-11 0.76778068E+01 0.80000000E+01 7 0 0 0.24277887E+05 0.22754133E-04 0.00000000E+00 0.73504480E+01 0.80000000E+01 7 2 0 0.24499708E+05 0.11882799E-07 0.00000000E+00 0.80329289E+01 0.80000000E+01 7 2 1 0.24505446E+05 0.00000000E+00 0.68185745E-07 0.76825364E+01 0.80000000E+01 7 4 0 0.25034069E+05 0.14138289E-09 0.00000000E+00 0.80886357E+01 0.80000000E+01 7 4 1 0.25036329E+05 0.00000000E+00 0.73625308E-10 0.78178965E+01 0.80000000E+01 8 0 0 0.26819519E+05 0.16291428E-04 0.00000000E+00 0.74163040E+01 0.80000000E+01 8 2 0 0.27023281E+05 0.55607090E-06 0.00000000E+00 0.78916110E+01 0.80000000E+01 8 2 1 0.27028848E+05 0.00000000E+00 0.95245136E-06 0.76506953E+01 0.80000000E+01 8 4 0 0.27514681E+05 0.39560762E-09 0.00000000E+00 0.79901364E+01 0.80000000E+01 8 4 1 0.27517003E+05 0.00000000E+00 0.22707564E-09 0.77261210E+01 0.80000000E+01 9 0 0 0.29111039E+05 0.89777690E-05 0.00000000E+00 0.73003606E+01 0.80000000E+01 9 2 0 0.29295919E+05 0.78419332E-06 0.00000000E+00 0.75495657E+01 0.80000000E+01 9 2 1 0.29301172E+05 0.00000000E+00 0.10600509E-05 0.74300740E+01 0.80000000E+01 9 4 0 0.29741636E+05 0.24848341E-09 0.00000000E+00 0.76927684E+01 0.80000000E+01 9 4 1 0.29743976E+05 0.00000000E+00 0.14363167E-09 0.74417122E+01 0.80000000E+01 10 0 0 0.31136190E+05 0.26220304E-05 0.00000000E+00 0.69932464E+01 0.80000000E+01 10 2 0 0.31300878E+05 0.27193540E-06 0.00000000E+00 0.70130431E+01 0.80000000E+01 10 2 1 0.31305662E+05 0.00000000E+00 0.35562468E-06 0.70155727E+01 0.80000000E+01 11 0 0 0.32872096E+05 0.82908381E-07 0.00000000E+00 0.64263717E+01 0.80000000E+01 11 2 1 0.33018726E+05 0.00000000E+00 0.77506008E-10 0.63408835E+01 0.80000000E+01 11 4 0 0.33355341E+05 0.43072809E-09 0.00000000E+00 0.64006368E+01 0.80000000E+01 11 4 1 0.33357501E+05 0.00000000E+00 0.28473611E-09 0.61943850E+01 0.80000000E+01 12 0 0 0.34287007E+05 0.42487741E-06 0.00000000E+00 0.54728224E+01 0.80000000E+01 12 2 0 0.34404159E+05 0.16152688E-06 0.00000000E+00 0.51083525E+01 0.80000000E+01 12 2 1 0.34407520E+05 0.00000000E+00 0.20455255E-06 0.52852616E+01 0.80000000E+01 12 4 0 0.34681178E+05 0.13345112E-08 0.00000000E+00 0.51972955E+01 0.80000000E+01 12 4 1 0.34683076E+05 0.00000000E+00 0.87421896E-09 0.50294135E+01 0.80000000E+01 13 0 0 0.35336973E+05 0.11027777E-05 0.00000000E+00 0.39679242E+01 0.80000000E+01 13 2 0 0.35423853E+05 0.30784100E-06 0.00000000E+00 0.35165469E+01 0.80000000E+01 13 2 1 0.35426265E+05 0.00000000E+00 0.41370394E-06 0.37019541E+01 0.80000000E+01 13 4 0 0.35623837E+05 0.18175045E-08 0.00000000E+00 0.33997221E+01 0.80000000E+01 13 4 1 0.35625276E+05 0.00000000E+00 0.12044214E-08 0.32932720E+01 0.80000000E+01 14 0 0 0.35961200E+05 0.75208683E-06 0.00000000E+00 0.17939134E+01 0.80000000E+01 14 2 0 0.36009341E+05 0.16459518E-06 0.00000000E+00 0.13544783E+01 0.80000000E+01 14 2 1 0.36010415E+05 0.00000000E+00 0.25190304E-06 0.14782882E+01 0.80000000E+01 0 1 0 -0.36024873E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.80000000E+01 0 1 1 0.20321986E+02 0.00000000E+00 0.54067122E-07 0.54067122E-07 0.80000000E+01 0 3 0 0.59172781E+03 0.23878017E-02 0.00000000E+00 0.34764390E-02 0.80000000E+01 0 3 1 0.59394135E+03 0.00000000E+00 0.15229135E-02 0.30558059E-02 0.80000000E+01 0 5 0 0.16262832E+04 0.67868070E-05 0.00000000E+00 0.21806894E-01 0.80000000E+01 0 5 1 0.16271731E+04 0.00000000E+00 0.38823666E-05 0.20886924E-01 0.80000000E+01 0 7 0 0.30731116E+04 0.16135772E-08 0.00000000E+00 0.66589789E-01 0.80000000E+01 0 7 1 0.30736001E+04 0.00000000E+00 0.86921975E-09 0.65167925E-01 0.80000000E+01 1 1 0 0.41525733E+04 0.22994815E+01 0.00000000E+00 0.25148371E+01 0.80000000E+01 1 1 1 0.41752992E+04 0.00000000E+00 0.41918069E-01 0.13518461E+01 0.80000000E+01 1 3 0 0.47155660E+04 0.81557327E-01 0.00000000E+00 0.21928649E+01 0.80000000E+01 1 3 1 0.47180275E+04 0.00000000E+00 0.53091311E-01 0.20720170E+01 0.80000000E+01 1 5 0 0.56979767E+04 0.10347857E-04 0.00000000E+00 0.21784618E+01 0.80000000E+01 1 5 1 0.56989682E+04 0.00000000E+00 0.60616457E-05 0.21290857E+01 0.80000000E+01 1 7 0 0.70711089E+04 0.21664165E-09 0.00000000E+00 0.21875083E+01 0.80000000E+01 1 7 1 0.70716525E+04 0.00000000E+00 0.12619407E-09 0.21602016E+01 0.80000000E+01 2 1 0 0.80698794E+04 0.11345305E+00 0.00000000E+00 0.47121341E+01 0.80000000E+01 2 1 1 0.80950268E+04 0.00000000E+00 0.16696721E-03 0.25036961E+01 0.80000000E+01 2 3 0 0.86048059E+04 0.96032981E-03 0.00000000E+00 0.40736179E+01 0.80000000E+01 2 3 1 0.86075134E+04 0.00000000E+00 0.80514537E-03 0.38474128E+01 0.80000000E+01 2 5 0 0.95361751E+04 0.67468253E-07 0.00000000E+00 0.40203466E+01 0.80000000E+01 2 5 1 0.95372682E+04 0.00000000E+00 0.44188731E-07 0.39283840E+01 0.80000000E+01 3 1 0 0.11756787E+05 0.41584523E-02 0.00000000E+00 0.65473071E+01 0.80000000E+01 3 1 1 0.11784339E+05 0.00000000E+00 0.84836171E-04 0.34488763E+01 0.80000000E+01 3 3 0 0.12264103E+05 0.46787366E-04 0.00000000E+00 0.56124796E+01 0.80000000E+01 3 3 1 0.12267050E+05 0.00000000E+00 0.19894489E-04 0.52996246E+01 0.80000000E+01 3 5 0 0.13145156E+05 0.10186725E-08 0.00000000E+00 0.55146622E+01 0.80000000E+01 3 5 1 0.13146348E+05 0.00000000E+00 0.77110154E-09 0.53875657E+01 0.80000000E+01 4 1 0 0.15216322E+05 0.37785257E-03 0.00000000E+00 0.79836647E+01 0.80000000E+01 4 1 1 0.15246216E+05 0.00000000E+00 0.24215918E-04 0.41830282E+01 0.80000000E+01 4 3 0 0.15696243E+05 0.26191786E-04 0.00000000E+00 0.67864747E+01 0.80000000E+01 4 3 1 0.15699420E+05 0.00000000E+00 0.13795480E-04 0.64083188E+01 0.80000000E+01 4 5 0 0.16527282E+05 0.97540759E-09 0.00000000E+00 0.66426936E+01 0.80000000E+01 4 5 1 0.16528571E+05 0.00000000E+00 0.63419551E-09 0.64890221E+01 0.80000000E+01 5 1 0 0.18449489E+05 0.68913134E-04 0.00000000E+00 0.90069777E+01 0.80000000E+01 5 1 1 0.18481603E+05 0.00000000E+00 0.50872488E-05 0.47092531E+01 0.80000000E+01 5 3 0 0.18901954E+05 0.74536833E-05 0.00000000E+00 0.75907786E+01 0.80000000E+01 5 3 1 0.18905343E+05 0.00000000E+00 0.38827262E-05 0.71697648E+01 0.80000000E+01 5 5 0 0.19682795E+05 0.62197828E-09 0.00000000E+00 0.74007671E+01 0.80000000E+01 5 5 1 0.19684173E+05 0.00000000E+00 0.38336283E-09 0.72296961E+01 0.80000000E+01 6 1 0 0.21454994E+05 0.27369404E-04 0.00000000E+00 0.96330819E+01 0.80000000E+01 6 1 1 0.21489125E+05 0.00000000E+00 0.64280662E-06 0.50397123E+01 0.80000000E+01 6 3 0 0.21879607E+05 0.14521637E-05 0.00000000E+00 0.80497664E+01 0.80000000E+01 6 3 1 0.21883182E+05 0.00000000E+00 0.62373142E-06 0.76068812E+01 0.80000000E+01 6 5 0 0.22609487E+05 0.86718585E-10 0.00000000E+00 0.78204219E+01 0.80000000E+01 6 5 1 0.22610945E+05 0.00000000E+00 0.52051655E-10 0.76405061E+01 0.80000000E+01 7 1 0 0.24228859E+05 0.24725233E-04 0.00000000E+00 0.99010821E+01 0.80000000E+01 7 1 1 0.24264697E+05 0.00000000E+00 0.47219478E-07 0.51935922E+01 0.80000000E+01 7 3 0 0.24624811E+05 0.54473459E-09 0.00000000E+00 0.82032706E+01 0.80000000E+01 7 3 1 0.24628536E+05 0.00000000E+00 0.25935587E-07 0.77566804E+01 0.80000000E+01 7 5 0 0.25302256E+05 0.10079695E-09 0.00000000E+00 0.79437895E+01 0.80000000E+01 7 5 1 0.25303778E+05 0.00000000E+00 0.60798759E-10 0.77625271E+01 0.80000000E+01 8 1 0 0.26763880E+05 0.24106278E-04 0.00000000E+00 0.98759127E+01 0.80000000E+01 8 1 1 0.26800966E+05 0.00000000E+00 0.59538193E-06 0.51960436E+01 0.80000000E+01 8 3 0 0.27129831E+05 0.52188728E-06 0.00000000E+00 0.81113736E+01 0.80000000E+01 8 3 1 0.27133655E+05 0.00000000E+00 0.57198313E-06 0.76743963E+01 0.80000000E+01 8 5 0 0.27752455E+05 0.53689146E-09 0.00000000E+00 0.78328477E+01 0.80000000E+01 8 5 1 0.27754019E+05 0.00000000E+00 0.31968891E-09 0.76558013E+01 0.80000000E+01 9 1 0 0.29048851E+05 0.15392552E-04 0.00000000E+00 0.96097923E+01 0.80000000E+01 9 1 1 0.29086527E+05 0.00000000E+00 0.61798465E-06 0.50650031E+01 0.80000000E+01 9 3 0 0.29382760E+05 0.81764603E-06 0.00000000E+00 0.78180017E+01 0.80000000E+01 9 3 1 0.29386613E+05 0.00000000E+00 0.74979168E-06 0.73999795E+01 0.80000000E+01 9 5 0 0.29946975E+05 0.53432227E-09 0.00000000E+00 0.75260856E+01 0.80000000E+01 9 5 1 0.29948550E+05 0.00000000E+00 0.31334027E-09 0.73573753E+01 0.80000000E+01 10 1 0 0.31067489E+05 0.46482630E-05 0.00000000E+00 0.91023714E+01 0.80000000E+01 10 1 1 0.31104819E+05 0.00000000E+00 0.17084439E-06 0.47937836E+01 0.80000000E+01 10 3 0 0.31366352E+05 0.41359389E-06 0.00000000E+00 0.73201882E+01 0.80000000E+01 10 3 1 0.31370136E+05 0.00000000E+00 0.34839259E-06 0.69293420E+01 0.80000000E+01 10 5 0 0.31866907E+05 0.11237936E-09 0.00000000E+00 0.70083641E+01 0.80000000E+01 10 5 1 0.31868450E+05 0.00000000E+00 0.61866830E-10 0.68519647E+01 0.80000000E+01 11 1 0 0.32796880E+05 0.89581536E-07 0.00000000E+00 0.82722624E+01 0.80000000E+01 11 1 1 0.32832524E+05 0.00000000E+00 0.53927275E-08 0.43408193E+01 0.80000000E+01 11 3 0 0.33056310E+05 0.42882939E-07 0.00000000E+00 0.65493394E+01 0.80000000E+01 11 3 1 0.33059885E+05 0.00000000E+00 0.28026854E-07 0.61972361E+01 0.80000000E+01 11 5 0 0.33485527E+05 0.51772554E-10 0.00000000E+00 0.61939489E+01 0.80000000E+01 11 5 1 0.33486974E+05 0.00000000E+00 0.36146555E-10 0.60555042E+01 0.80000000E+01 12 1 0 0.34205187E+05 0.11002884E-05 0.00000000E+00 0.69648615E+01 0.80000000E+01 12 1 1 0.34237233E+05 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