Literature DB >> 27446734

Electron-Impact Cross Sections for Dipole- and Spin-Allowed Excitations of Hydrogen, Helium, and Lithium.

Philip M Stone1, Yong-Ki Kim1, J P Desclaux2.   

Abstract

Electron-impact excitation cross sections are presented for the dipole- and spin allowed transitions from the ground states to the np (2)P states for hydrogen and lithium, and to the 1snp (1)P states for helium, n = 2 through 10. Two scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. The scaled Born cross sections are in excellent agreement with available theoretical and experimental data.

Entities:  

Keywords:  electron-impact; excitation cross section; helium; hydrogen; lithium

Year:  2002        PMID: 27446734      PMCID: PMC4859265          DOI: 10.6028/jres.107.026

Source DB:  PubMed          Journal:  J Res Natl Inst Stand Technol        ISSN: 1044-677X


1. Introduction

We have scaled Plane-Wave Born (PWB) cross sections to calculate dipole- and spin-allowed excitation cross sections from the ground state of neutral hydrogen, helium, and lithium. The scaling method was developed by one of us [1], and uses two simple scaling formulas to convert PWB excitation cross sections into reliable cross sections comparable to the most accurate theoretical or experimental data available for dipole-allowed transitions. The PWB cross sections are calculated from uncorrelated wave functions, and the scaling requires only the binding energy B of the electron being excited, the excitation energy E, and an accurate dipole oscillator strength f for the transition. The oscillator strength is needed only if electron correlation strongly affects the f value, i.e., when the wave functions used to calculate the PWB cross section are not accurate. Simplicity of the method to scale PWB cross sections allows us to generate a large number of cross sections reliably and quickly. In this paper, we present calculated excitation cross sections for hydrogen from the 1s 2S ground state to the np 2P excited states. For helium, the cross sections are given for excitations from the 1s2 1S ground state to the 1snp 1P excited states. For lithium, the results are given for excitations from the 1s22s 2S ground state to the 1s2np 2P states. In all cases, the values of n are from n = 2 through 10.

2. Outline of Theory

A PWB cross section for electron-impact excitation, σPWB, has the form where T is the incident electron energy, a0 is the Bohr radius (0.529 Å), and R is the Rydberg energy (13.61 eV). The FPWB(T) is the collision strength (different from the standard definition by a multiplicative constant). The first scaling method, BE scaling, replaces T in the denominator of Eq. (1) by T + B + E, i.e., This scaling is similar to a scaling for ionization cross sections used earlier by Burgess [2], who shifted the incident energy T by B+U, where U is the kinetic energy of the target electron. However, in the BE scaling adopted by Kim [1] for excitation cross sections, T is shifted by B+E. The BE scaling not only changes the magnitude but also the shape of the original PWB cross sections. The BE scaling corrects the deficiency in the collision theory; i.e., the use of the PWB approximation. The second scaling formula, the f scaling, multiplies the entire cross section by the ratio of an accurate f value to the less accurate f value calculated by the actual wave functions used to generate the unscaled PWB cross sections: where f is the single configuration (or uncorrelated) f value and faccu is the more accurate value obtained from correlated (or multiconfiguration) wave functions or from a reliable experiment. Accurate f values are frequently available [3]. The f scaling compensates for the inadequacy of the wave functions when electron correlation effect is significant. The BE and f scalings may be applied consecutively, i.e., where σBEsc is the BE-scaled PWB cross section calculated from single-configuration wave functions. Kim has shown many examples [1] in which the BE scaling alone or in combination with the f scaling transformed PWB cross sections for dipole-allowed and spin-allowed excitations into reliable cross sections comparable to the convergent close coupling (CCC) method [4] or accurate experiments. In reality, electron-impact excitation cross sections of atoms have resonances in the vicinity of the excitation thresholds caused by the formation of transient compound states between the incident electron and the target atom. First-order perturbation theories such as the PWB approximation cannot account for such compound states, and hence the present scaled cross sections do not exhibit any resonances. The numerical data in Tables 1, 2, and 3 can easily be extended to higher incident energies by using the well known Bethe formula [5] for the plane-wave Born approximation for fast (but nonrelativistic) incident electrons. In our notation, the asymptotic expression becomes: where a, b, and c are dimensionless constants. Equation (5) should be used for T > 3 keV. The values of a, b, and c are included in Tables 1, 2, and 3. Note that a relativistic form (5) of Eq. (5) should be used for T > 10 keV.
Table 1

Hydrogen. Excitation energies E in eV, dipole f values, and BE–scaled excitation cross sections σBE in Å2 as functions of incident electron energy T in eV. The experimental ionization energy B = 13.5984 eV has been used in the scaling. The constants a, b, and c of Eq. (5) are included

Excitation1s–2p1s–3p1s–4p1s–5p1s–6p1s–7p1s–8p1s–9p1s–10p
E10.20412.09412.75513.06113.22813.32813.39313.43813.470
f0.41640.07910.02900.01390.007800.0048160.0031850.0022170.001606
Const.a0.5555120.0890830.0309560.0145340.0080310.0049190.0032370.0022460.001623
Const. b0.2717850.0602020.0229840.0112430.0063480.0039390.0025500.0018240.001323
Const. c0.000112−0.019775−0.009279−0.004880−0.002853−0.001806−0.001213−0.000854−0.000623
TσBEσBEσBEσBEσBEσBEσBEσBEσBE
110.15876
120.24099
130.301860.030330.00573
140.351190.043820.012740.005280.002670.001540.0009650.0006460.000455
150.392560.053720.016970.007520.004010.002400.001550.001060.000763
160.427860.061660.020180.009160.004960.003000.001950.001350.000969
170.458280.068270.022780.010460.005700.003460.002270.001570.00113
180.484680.073870.024960.011540.006320.003850.002520.001750.00126
190.507680.078670.026810.012450.006840.004170.002740.001900.00137
200.527790.082820.028400.013230.007280.004450.002920.002020.00146
210.545400.086420.029770.013910.007660.004680.003080.002130.00154
220.560840.089570.030960.014490.007990.004890.003210.002230.00161
230.574390.092310.032000.015000.008280.005070.003330.002310.00167
240.586270.094720.032910.015440.008530.005220.003440.002380.00172
260.605800.098670.034400.016170.008940.005480.003610.002500.00181
280.620690.101690.035540.016730.009250.005670.003730.002590.00187
300.631890.103980.036410.017150.009490.005820.003830.002660.00192
320.640130.105690.037060.017470.009670.005930.003910.002710.00196
340.645970.106950.037540.017710.009810.006020.003960.002750.00199
360.649860.107820.037880.017870.009900.006080.004000.002780.00201
380.652160.108400.038110.017990.009970.006120.004030.002800.00202
400.653150.108720.038250.018060.010010.006140.004050.002810.00203
450.651300.108700.038280.018080.010020.006150.004050.002810.00204
500.645200.107870.038010.017960.009960.006110.004030.002800.00202
550.636470.106540.037560.017750.009840.006040.003980.002770.00200
600.626150.104900.037000.017490.009700.005950.003920.002730.00197
650.614890.103080.036360.017190.009530.005850.003860.002680.00194
700.603150.101160.035690.016880.009360.005750.003790.002630.00190
750.591210.099190.035000.016550.009180.005640.003710.002580.00187
800.579290.097210.034310.016220.009000.005520.003640.002530.00183
850.567500.095240.033620.015900.008820.005410.003570.002480.00179
900.555930.093310.032940.015570.008640.005300.003500.002430.00176
950.544650.091420.032270.015260.008460.005200.003430.002380.00172
1000.533690.089590.031620.014950.008290.005090.003360.002330.00169
1100.512760.086070.030380.014370.007970.004890.003230.002240.00162
1200.493220.082780.029220.013820.007660.004710.003100.002150.00156
1300.475000.079720.028140.013310.007380.004530.002990.002070.00150
1400.458050.076860.027130.012830.007120.004370.002880.002000.00145
1500.442270.074200.026190.012380.006870.004220.002780.001930.00140
1600.427560.071710.025310.011970.006640.004080.002690.001870.00135
1700.413830.069400.024490.011580.006420.003940.002600.001810.00131
1800.401000.067230.023720.011220.006220.003820.002520.001750.00126
1900.388980.065200.023010.010880.006030.003700.002440.001700.00123
2000.377710.063300.022330.010560.005860.003600.002370.001650.00119
2500.330450.055330.019520.009230.005120.003140.002070.001440.00104
3000.294450.049260.017370.008210.004550.002800.001840.001280.000925
3500.266070.044470.015680.007410.004110.002520.001660.001150.000835
4000.243090.040600.014310.006760.003750.002300.001520.001050.000762
4500.224080.037410.013180.006230.003450.002120.001400.0009700.000702
5000.208070.034710.012230.005780.003200.001970.001300.0009000.000651
6000.182540.030420.010710.005060.002810.001720.001140.0007880.000570
7000.163030.027150.009560.004520.002500.001540.001010.0007030.000508
8000.147600.024560.008650.004080.002260.001390.0009150.0006360.000460
9000.135050.022460.007900.003730.002070.001270.0008370.0005810.000420
10000.124630.020710.007290.003440.001910.001170.0007710.0005360.000387
15000.090940.015080.005300.002500.001390.0008510.0005610.0003900.000282
20000.072360.011980.004210.001990.001100.0006760.0004450.0003090.000224
30000.052140.008620.003030.001430.0007910.0004860.0003200.0002220.000161
Table 2

Helium. Excitation energies E in eV, dipole f values from uncorrelated wave functions (fsc), f values from correlated wave functions (faccu) by Drake [8], and BEf–scaled excitation cross sections σBE in Å2 as functions of incident electron energy T in eV. The initial state is 1s2 1S. The experimental ionization energy B = 24.5874 eV has been used in the scaling. The constants a, b, and c of Eq. (5) are included

Final state1s2p 1P1s3p 1P1s4p 1P1s5p 1P1s6p 1P1s7p 1P1s8p 1P1s9p 1P1s10p 1P
E21.21823.08723.74224.04624.21124.31124.37524.42024.452
fsc0.25830.070610.028990.014660.008440.005290.003540.002480.00181
faccu0.27620.073430.029860.015040.008630.005410.003610.002530.00184
Const. a0.1656010.0416110.0161110.0082980.0047400.0029630.0019750.0013830.001006
Const. b−0.076942−0.018087−0.007040−0.003475−0.001972−0.001227−0.000816−0.000570−0.000414
Const. c0.0333060.002104−0.000045−0.000228−0.000194−0.000146−0.000108−0.000080−0.000061
TσBEfσBEfσBEfσBEfσBEfσBEfσBEfσBEfσBEf
230.01939
240.024740.00337
250.029330.004980.001590.0006840.0003540.0002060.0001300.00008790.0000621
260.033430.006250.002160.0009970.0005430.0003290.0002140.0001480.000106
270.037160.007350.002640.001250.0006880.0004210.0002770.0001920.000139
280.040580.008320.003050.001460.0008120.0005000.0003300.0002290.000166
290.043750.009210.003420.001650.0009220.0005690.0003760.0002620.000190
300.046690.010020.003760.001820.001020.0006310.0004180.0002910.000211
350.058750.013290.005100.002500.001410.0008780.0005830.0004070.000295
400.067570.015650.006070.002990.001690.001050.0007000.0004890.000355
450.074130.017400.006780.003350.001900.001180.0007870.0005500.000399
500.079030.018710.007310.003620.002060.001280.0008510.0005950.000432
600.085420.020430.008020.003970.002260.001410.0009370.0006550.000476
700.088830.021380.008410.004170.002370.001480.0009850.0006890.000501
800.090430.021850.008610.004270.002430.001520.001010.0007060.000513
900.090880.022020.008680.004310.002450.001530.001020.0007130.000518
1000.090600.021990.008680.004310.002450.001530.001020.0007130.000518
1100.089830.021840.008620.004280.002440.001520.001010.0007090.000515
1200.088760.021610.008530.004240.002420.001510.001000.0007020.000510
1300.087480.021320.008420.004190.002390.001490.0009910.0006930.000504
1400.086090.021000.008300.004130.002350.001470.0009760.0006830.000497
1500.084620.020660.008170.004060.002310.001440.0009610.0006720.000489
1600.083130.020300.008030.003990.002270.001420.0009450.0006610.000481
1700.081620.019950.007890.003920.002240.001390.0009290.0006500.000472
1800.080120.019590.007750.003850.002200.001370.0009120.0006380.000464
1900.078640.019230.007610.003780.002160.001350.0008960.0006270.000456
2000.077180.018880.007470.003720.002120.001320.0008800.0006160.000448
2250.073700.018050.007140.003550.002020.001260.0008410.0005890.000428
2500.070460.017260.006830.003400.001940.001210.0008050.0005630.000410
2750.067470.016540.006550.003260.001860.001160.0007720.0005400.000393
3000.064710.015870.006280.003130.001780.001110.0007400.0005180.000377
3500.059820.014680.005810.002890.001650.001030.0006850.0004790.000349
4000.055640.013650.005410.002690.001530.0009570.0006380.0004460.000324
4500.052030.012770.005060.002520.001440.0008960.0005970.0004170.000304
5000.048900.012010.004760.002370.001350.0008420.0005610.0003920.000285
6000.043720.010740.004250.002120.001210.0007530.0005020.0003510.000255
7000.039620.009730.003860.001920.001090.0006830.0004550.0003180.000231
8000.036280.008910.003530.001760.001000.0006250.0004160.0002910.000212
9000.033500.008230.003260.001620.0009250.0005780.0003850.0002690.000196
10000.031160.007660.003030.001510.0008610.0005370.0003580.0002500.000182
15000.023330.005730.002270.001130.0006450.0004020.0002680.0001870.000136
20000.018850.004630.001830.0009130.0005210.0003250.0002160.0001510.000110
30000.013830.003400.001350.0006700.0003820.0002380.0001590.0001110.0000807
Table 3

Lithium. Excitation energies E in eV, dipole f values calculated from uncorrelated wave functions (fsc), f values calculated from correlated wave functions (faccu) as explained in the text, and BEf–scaled excitation cross sections σBE in Å2 as functions of incident electron energy T in eV. The experimental ionization energy B = 5.3917 eV has been used in the scaling. The constants a, b, and c of Eq. (5) are included

Excitation2s–2p2s–3p2s–4p2s–5p2s–6p2s–7p2s–8p2s–9p2s–10
E1.8483.8344.5224.8375.0085.1105.1775.2225.254
fsc0.76850.003400.003530.002170.001350.0008800.0006010.0004270.000314
faccu0.74680.004830.004280.002600.001580.001010.0006830.0004820.000353
Const. a5.6581480.0120560.0106310.0061130.0036660.0023420.0015800.0011130.000813
Const. b17.2880570.2199780.0470050.0183400.0092440.0053720.0034190.0023190.001650
Const. c−0.2260580.0227680.0113000.0055170.0030620.0018720.0012290.0008500.000613
TσBEfσBEfσBEfσBEfσBEfσBEfσBEfσBEfσBEf
   214.59367
   2.527.24288
   333.14707
   3.536.69134
   438.978380.53291
   4.540.487110.87436
   541.474400.975330.157400.04132
   5.542.095311.005270.186680.067750.031100.016530.009760.006220.00421
   642.450671.005920.195200.075060.036570.020570.012770.008510.00598
   842.333370.928890.185230.073640.036910.021230.013410.009050.00643
 1041.071860.838710.167330.066710.033510.019300.012210.008250.00586
 1536.877400.666700.134490.054140.027360.015820.010030.006790.00483
 2032.983490.552960.113540.046250.023540.013670.008690.005890.00420
 2529.737680.472980.098860.040710.020850.012150.007750.005260.00375
 3027.061060.413660.087890.036540.018810.010990.007020.004780.00341
 3524.835660.367870.079320.033240.017190.010070.006450.004390.00314
 4022.962650.331430.072410.030560.015860.009320.005970.004070.00291
 4521.366550.301710.066710.028320.014750.008680.005570.003800.00272
 5019.990710.277000.061900.026430.013800.008130.005220.003570.00255
 6017.739270.238230.054250.023370.012260.007250.004660.003190.00228
 7015.972980.209180.048390.021000.011060.006550.004220.002890.00207
 8014.548400.186570.043750.019110.010090.005990.003860.002640.00190
 9013.373610.168470.039980.017550.009300.005530.003570.002440.00175
  10012.387040.153640.036840.016250.008630.005130.003320.002270.00163
  11011.545960.141260.034200.015150.008060.004800.003100.002130.00153
  12010.819750.130760.031930.014190.007560.004510.002920.002000.00144
  13010.185880.121750.029960.013360.007130.004260.002760.001890.00136
  1409.627410.113930.028230.012630.006750.004030.002610.001790.00129
  1509.131350.107070.026710.011980.006410.003830.002480.001700.00123
  1608.687560.101010.025350.011400.006110.003650.002370.001630.00117
  1708.287990.095610.024130.010870.005830.003490.002260.001550.00112
  1807.926200.090770.023030.010400.005580.003340.002170.001490.00107
  1907.596940.086410.022030.009970.005360.003210.002080.001430.00103
  2007.295920.082460.021120.009580.005150.003090.002000.001380.000991
  2256.644880.074030.019170.008720.004700.002820.001830.001260.000907
  2506.107610.067190.017560.008020.004330.002600.001690.001160.000837
  2755.656110.061530.016210.007430.004020.002410.001570.001080.000778
  3005.270960.056770.015070.006930.003750.002250.001470.001010.000727
  3504.647690.049200.013230.006110.003310.002000.001300.0008940.000644
  4004.164110.043440.011810.005480.002980.001790.001170.0008050.000580
  4503.777210.038920.010680.004970.002700.001630.001060.0007320.000528
  5003.460130.035260.009760.004550.002480.001500.0009760.0006730.000485
  6002.970300.029720.008340.003910.002130.001290.0008420.0005800.000419
  7002.608500.025700.007300.003440.001880.001140.0007420.0005120.000369
  8002.329620.022670.006500.003070.001680.001020.0006640.0004580.000331
  9002.107650.020280.005870.002780.001520.0009230.0006030.0004160.000300
10001.926520.018360.005350.002540.001390.0008450.0005520.0003810.000275
15001.360230.012510.003750.001790.0009880.0006000.0003930.0002710.000196
20001.060670.009530.002910.001400.0007730.0004700.0003080.0002130.000154
30000.745610.006490.002030.0009840.0005450.0003320.0002180.0001510.000109

3. Theoretical Results

We present the calculated cross sections for hydrogen, helium, and lithium in Tables 1–3. Our PWB cross sections were generated from single configuration Dirac-Fock wave functions. The calculated cross sections are compared to other theories and experiments in Figs. 1–7.
Fig. 1

Hydrogen 1s–2p electron–impact excitation cross sections. The solid curve is our scaled plane–wave Born (PWB) result, the filled circles are unscaled PWB cross sections, the open circles are accurate theoretical results from the convergent close coupling (CCC) method shown on the web site of Bray and Ralchenko [6], and the squares are experimental results of Grafe et al. [11].

Fig. 2

Hydrogen 1s–3p electron–impact excitation cross sections. The squares are experimental results of Sweeney et al. [7]. The other results are as in Fig. 1.

Fig. 3

Hydrogen 1s–4p electron–impact excitation cross sections. The symbols are as in Fig. 2.

Fig. 4

Helium 1s2 1S–1s2p 1P electron–impact excitation cross sections. The solid curve is the BEf–scaled plane–wave Born cross section, the open circles are recent CCC results of Merabet et al. [12], and the filled circles are previous CCC results from the web site of Bray and Ralchenko [6]. Experimental results are the recommended values of Trajmar et al. [16] (open squares), Westerveld et al. [14] (triangles), Shemansky et al. [15] (pluses), recommended values of de Heer et al. [13] (crosses), and results of Merabet et al. [12] (diamonds).

Fig. 5

Helium 1s2 1S–1s3p 1P electron–impact excitation cross sections. Symbols are the same as in Fig.4.

Fig. 6

Helium 1s2 1S–1s4p 1P electron–impact excitation cross sections. Symbols are the same as in Fig.4.

Fig. 7

Lithium 1s22s–1s2 2p electron–impact excitation cross sections. The solid curve is the present scaled plane–wave Born (PWB) cross section, the filled circles are unscaled PWB cross section, and the CCC results (open circles) are from Schweinzer et al. [22]. Experimental results are from Leep and Gallagher [18] (open squares), Williams et al. [19] (pluses), and Vuskovic et al. [20] (triangles).

The CCC results for these elements are from the web site of Bray [6]. The experimental results by Sweeney et al. [7] for hydrogen include all dipole-allowed and dipole-forbidden states of hydrogen for each n, and hence are higher than the cross sections for just the dipole-allowed excitations. The ionization energies B and the excitation energies E are all experimental values. Only BE scaling is needed for hydrogen as its exact wave functions are known. The accurate f values for helium have been obtained from the detailed variational calculations of Drake [8]. The f value for the 2s–2p transition in lithium is from the calculations of Yan et al. [9], while the values for the 2s–np transitions, n = 3 through 7, are from the non-relativistic multiconfiguration calculations including core polarization by Qu et al. [10]. For the 2s–8p, 9p, and 10p excitations of lithium, we extrapolated f(n*)3 of Qu et al. [10] from n = 5 through n = 7, where n* is the experimental effective principal quantum number of quantum defect theory. We had found that the f values by Qu et al. for the 8p and 9p transitions were inconsistent with their values for n < 8. The extrapolation of f(n*)3 is shown in Fig. 8 through n* ≈ 17 and is given by the expression:
Fig. 8

Values of f(n*)3 for lithium showing the extrapolated values for Qu et al. [10] from their data for n = 6 and 7. The f–values given by Qu et al. are anomalous at n = 8 and 9. The extrapolated value at the ionization limit (n* → ∞) is 0.345 (indicated by the arrow on the left hand axis). Also shown are the results from the single configuration Dirac–Fock calculation of the present work (diamonds) and values from the current NIST web site [3] (squares). The NIST web site values are earlier results than the more accurate data of Qu et al.

Beyond n* ≈ 17, the formula begins to break down but the actual curve should remain flat. At the ionization limit (n* → ∞), the value of f(n*)3 is extrapolated to be 0.345. It is apparent that for all cases where experimental data and CCC results are available, the scaled PWB cross sections give values that are in good agreement.
  2 in total

1.  Calculation of electron-lithium scattering using the coupled-channel optical method.

Authors: 
Journal:  Phys Rev A       Date:  1993-02       Impact factor: 3.140

2.  Electron-impact excitation of the n 1P levels of helium: Theory and experiment.

Authors: 
Journal:  Phys Rev A       Date:  1992-02-01       Impact factor: 3.140

  2 in total
  1 in total

1.  Electron-Impact Cross Sections for Ground State to np Excitations of Sodium and Potassium.

Authors:  Philip M Stone; Yong-Ki Kim
Journal:  J Res Natl Inst Stand Technol       Date:  2004-10-01
  1 in total

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