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approximately 0.25. On the other ha, nd, for 660-kev photons, the total Compton cross section appears to be independent of the electron binding energy. It is interesting to note that at 660 kev, the small- and largeangle behavior of d|7~ has a compensating effect in which the total cross-section ratio, ore/a. r, is approximately equal to unity for both tin and gold.

ACKNOWLEDGMENTS

We wish to thank Professor Mare Ross for helpful discussions. Also one of us (JWM) wishes to thank Professor Mario Ageno for his suggestions during the course of the work and for his kind hospitality in making available the facilities of the Physics Laboratory of the Istituto Superiore di Sanita.

PHYSI CAL REVIEW

VOLUME

124, NUMBER

5

DECEMBER 1, 1961

Electron Scattering from Hydrogen*
CHARLEs SGHwARTz

Department

of Physics, U'nzoerszty of Calzfornza, Berkeley, Calzfornza (Received June 12, 1961)

Kohn's variational principle has been used to calculate S-wave elastic scattering of electrons from atomic hydrogen, using up to 50 trial functions of the type introduced by Hylleraas to describe the bound states of two-electron atoms. The phase shifts calculated at several energies up to 10 ev appear to have converged well, leaving residual uncertainties mostly less than one thousandth of a radian. Taking extra pains to include the effect of the long-range force at zero energy, we have also determined very accurate values for the scattering lengths.

INTRODUCTION

HE scattering of electrons from hydrogen atoms has been the subject of a great many calculations since it presents what is probably the simplest nontrivial real problem in scattering theory. We undertook a program of computing definitive values of the S-wave elastic phase shifts for this system, making no approximations other than those imposed by the 6nite speed and capacity of modern computing machines. Our use of the variational method' for this scattering problem completes, in a sense, the famous work on the bound states of two-electron atoms begun more than thirty years ago by Hylleraas. Probably the most interesting, and quite unexpected, result of this program has been the realization of the extraordinary nature of the convergence of the "stationary" phase shift. It has been recognized for some time' that, in contrast with bound-state problems, the addition of more variational parameters in a scattering calculation does not necessarily lead to a better answer. This behavior is blamed on the nonexistence of any minimum (or maximum) principle. The error in a variational calculation may be represented by

where 6 is the unknown error in the trial wave function. Only for systems where one knows the (finite) number of eigenvalues of II below the value E can one possibly state that the expression (1) must be negative. ' For scattering at any 6nite energy it is clearly impossible to make any such statement. We have discussed elsewhere4 how, by taking a great deal of numerical data, one can draw smooth curves and see an eGectively regular convergence for the general scattering problem at any energy. This paper will present the results of this treatment for the e-II problem. We use Kohn's variational principle,

ftan8/k7= tan8/k+ (2nz/ks)
where
(2rtz/Pt')

H)fdridrs, f(E—

(2)

— V 1'+ V s'— (E H) = k' 1+ (2/rrs), + (2/ri)+ (2/rs) —

with lengths in units of )tt'/ztze'; and our trial wave function is (for singlet or triplet states) p+g,

f=

io= (1&P)s)2e "zLsinkri/kri

5 (E— H) Adr

(gl
t, m, n&0

+tan8 coskri/kri(1 — e (a/2) (rz+rz)r, t

— e

t"ts)"')7/4zrv2,

(3a)

using only a small number of parameters has recently been reported by Y. Hara, T. Ohmura, and T. Yamanouchi, Progr. Theoret. Phys. (Kyoto) 25, 46t (1961). ~ See, for example, H. S. W. Massey in Irundbgch der Physik edited by S. Flugge (Springer-Verlag, Berlin, 1956), Vol. 36.

*Supported in part by the Advanced Research Projects Administration through the U. S. Once of Naval Research. ' A calculation identical to ours but limited to zero energy and

X (ri

rs "&ri "rs )/4)rv2,

(3b)

and T. F. O' Malley, Phys. Rev. 119, 164 (1960), have in this manner established minimum principles for scattering at zero energy. These authors have recently extended their method to positive energies, but only by mutilating the potentials. 4 C. Schwartz, Ann. Phys, (to be published).

' L. Rosenberg, L. Spruch,

3 0. 14.2 I I l. (1+m+I).8 ).0— d I0h 1.7.6 1.40(1) — 6.260 (3) — 2.88 .8 2. an i s m 2.2 K 1. respectively.82 tan8 E.84 (2'/8 ) Xz(E H)Xjdridrs) Q 1.4 32 34 I 0.553 (1) 2.2938(4) 2.2 (a) (b) hase shift at k=0. esu s o varia e-IX ariational ona calculations of S-wave e 7 scattering. e phase glet ing p esult with wild values at ~=1.7 0.0— Ian k 1.89- I P ~ I I I I Most of our results were obtaine rom on y 2 shows a typical case.2 (6) 2.4(1) ~ ~ ~ ~ +150(20) — 2.4. g ave results noticeably "out of line" wit (ir= for the an siz its (1.4996(8) 2.6964(5) +15. The numbers 11.tan6 .0 1.833 (2) — 3. 2 0.5— k =ox I I 0 S k OA =0 = 0.202 (1) 2. 70 I d 50 in the following results identi tif y the e o order of ' in includin al/ terms in (3b) through total or th e t rii 1 t t t d powers.4. b h S' shift at k=0. dr2) H) pd— inear 13. are so narrow as a unc ion ut the larger matrices.4 1. ita 0.84— 2.6 0.76 1. Similar singularities 0 K) a h ~~ say as a unc ion and then come up again rom leadtoa asses through rossovere overestimate of the accuracy.88— 2. typica l resu //: Fi ure 1 shows the stationary values o ~. ' Mz i2 15.86 'I. Figure / lI:.1.1 S =1 4 =0. 150 po' oints represented.5— 1.23 (2) — 26.83— 0.056(4) — 2.563 (1) . but ey ar answer and assigned our uncertainty ic s ou e h ht that a reasonable measure o characteristic 4). 94 1.9388(4) 2.384(3) — 4.530(5) 0.492 (4) — 2.92 1. typical well-behaved results using only five values. 4.7 I I — 1. This is our most thoroug y s u ie entin curves shown representing some 150 points in t is som so a reat deal of structure is no s o erin p roblem see re ere of the scattering ' cer certainl y do exist or a .5— I F80 13. zero. Th e ac yields the standard linear problem -. over.74 12.0— le78 tion of tanb is also a trivial 12.9329(8) 1. from 2 to 7 fo 1 to 6 for the singlet state.72 number E of param ameters.17 (2) 1.4 0.68 (2) — 9.7797 (6) 1.74(2) — 17. = (2ns/Ii') ' X (Li' r.4 1.917 (5) 0. LEcTRON CATTERI NG lb. 1046(4) 1.0— 1.0673 (9) 1. )l t3 -tan3 k E I.8 0. k fina 1 results (see Ta bl e I is derived from such curves w for the tnp e 2 ev).87 (4) 1.866 2.930(1) 1. . s neighbors.71/1(5) 2.I-. . The e numbers in parentheses give e u the last digit quoted. O-- F ROM H 0. Il Il Il: I I I l I I / / 2.5— 003 (i. j=1. /If).886(1) ~ ~ — 6. RESULTS 0.4146 {4) 5.87— .003 roclloh . 2.041(1) 1. ~=1.90 2.b 20 24 28 ri let bases h'ft t k=0.90 15.85— S=O Ltans/kg k 5=1 (radians) I tans/kg S (radians) 2. where Ei2 exc an coordinates ri an d x and ~is the exchanges ' h' h is variable scale parameter wnicu so im important in studyactual ua variation of parameters ing the convergence. 2.0 1.5 0 0.845 (8) 1. es.8 2.5— 14.4 0.643 {3) 1.4: the most thoroughly studies case.

(8) larities + 0: at r — s are functions d used to s =595 = pe 7 1 e o h e much bett ter results described f in the next section. +0(r(i— (a) (b) where W&') is the e po ol anzed target wave ve function. bl.80 8 ro 0! 2mo' 0. where k'=~k' ) &.8 1.8 1.6 2.45 s i h ese proceedings one sh Quid dism 1 1 h in an use only the smoothest re en and e ipo e moment o erator is i its s static polarizability. 88 6.84 1 of th coor oodiinate t rp of the scattering particle. ero-e ese new ero-energy results.7— 6. but it e next rom is seen. gy(t) (&) a=1. Spruch. b ut it is also ere is very poor.92 6.9 I —1. . Abov art of e asymptotic -' =( — —. 1.4 0. — Hp)e ' =DC(" .CHARLES SCH WARTZ 7. irst zero-energy results. t O'Malle a ey. an t e scale p e er rc in g was varied parameter n y.9- 2.2— i- —1. S=O I I I( = 0 0. 00 The slow ow convergence noted above for k=0 b. is a small imaginar y numb um er and the o .08 2.04 Ot 6. ' ehavior Thus an im proved choice for the function (3a) is a 225 men s given iven in reference Bavin g sa satisfied the requirements n ee at =0 a strict minim f] cipie 1 for the scattering length ' Figure 3(a) and (b) s h ow our results w ooth b o1as. in the adiabatic a r from a h y d rogen the pote tial seen n a at lar d arge distances eingth 1 we used ony resu s were essentially no better than in the gorato t t e . T. R(g&(oi D.8 and 2.33 and 1. A ces o successive minima of these curves sug1 gests a convergence like — cos where the (r. I'.96 '1. Another conver gence enc problem arises at the her end A 'f th' of rgy region. arne d on the dificult cu y of expanding a ' ies o as slowl y as1 r' r in terms of r"e ". gy e 1)! (n — ldp— 'Iir 1 ' ' ""'""" T t't"t r o settin u al this improved ve p was very reat.0002 iscussion4 of these computations i t was 5L.2 1. (Ep Fio.0 2. 3(a) and (h'i.1 6 2. at ~=1. and a L.1— 7+0— r h 13 x 13 i T 1 atom is 7x 3x3 t at 2.8 " — (n/2r').12 2.0 +— ro'W ro' ').S6. ' We have -RANGE FORCE PROBLEM OF THE LONG-RA At made a sim simplified analysis of this l 'o p fth se investigations It is well known that.6— 6. h ch ou g find it di io wi 1 6 dimcult to repro 0 c ions bl'd' ~ we were unable to make k 0866 ductions from d t'for th's'n let s s more approachable. shown i i a much im rove rate approxxima t e1y equal to . a erm e' ". Rose berg.3— 6.1— 6.2 1 6 2.1 E4 ur 6 1 p't'd 17686~0. K 0. . 't may be inferred th at the long-range At finite energies rgies it is not hard to show that for the go c arge rom a neutral spin-zero s atomic oun -state system with groundt wave function h as t h e followin ex „.4 s =1 —1. (6) data taken nearby. (a/r) — 6.4- 2. ( ). and it has been ' in such a circum cums t ance the h as m a zero energyis 1 6. "p y .20 7 — (A' ~ 2rit rit) (n/r ).0— $.4. +r22/2) 12 r' ~1 f3 ' 4mv2.

.00— ~ / ~Z~g i QX «e' P ~o ~$ 1 77P POSITRON SCATTERING A few simple modiications of the programs allowed us to calculate elastic S-wave phase shifts for the scattering of positrons by atomic hydrogen. J. Axelrod and M. 115. Phys.16 — g 13 x 13 —1. windows ~OLLOKING I. Rosenberg.168 0. E. The use of such windows in the construction of a gas cell permits coninement of the gas sample to a restricted volume. Weissler. 8 This behavior was also noted at the end of Appendix 2 of reference 4. Whereas in previous experiments the absorbing gas sample was allowed to 611 the entire spectrometer chamber. but it appears to be a rather general property of variational calculations. Givens.151 0.4 0.ELECTRON SCATTERI NG FROM 6. 5 =. Rev.96540. A grazing incidence spectrometer with a photomultiplier was used for a single measurement at 180 A while the remaining measurements were carried out in a normal incidence spectrometer utilizing photographic techniques. Phys. we could not determine the stationary value from our 50+50 matrix at zero energy (the old way) to any better than about 1%%A.20 S = 1 H 808 0 It = 0 (improvedj TAsLz kap II.12— ~ 22x 22 ~ 34x 34 —1.6 0. 97 (1959). The results indicate that the cross section varies from a value of 0. in the current measurements the gas was confined to a small cell provided with suKciently transparent windows. This is a very interesting phenomenon for which we do not have any general theoretical understanding. BEDO. 4 (a) and (b).2 1. In particular. = 1.2 0. AND D.0002 i I —1.120 0. BAKER.003 't a. This technique has certain advantages over earlier methods'' which used the entire 2 ' P. Cornell University.04 Mb at 180 A to a value of 7.B 1. 117.062 0.0 (a) (b) FIG. PH YSI CAL REVIEW VOI UME 124.0 k 0. 99.054 6. Spruch and L. e+-H phase shifts.800 i 5px5p 6.6 2. INTRODUCTION helium. 540 (1955}. = 5.98&0. Rev. TGMBQULIAN of Physics and Laboratory of Atomic and Solid State Physics.188 0. NUMBER 5 DECEM BER 1. L. H.8 1. Rev. JR.794 8 (radians) 0.6 2.04— —1.4 0. For the scattering length we find the upper 2. N. Zero borh (Received Juiy 28. shown in Table II.7 0.786 6.3 Mb at the absorption edge located at 504 A. with this improved calculation the numerical uncertainties were much reduced. and from the apparent rate of conbound u+~ — vergence we believe that a+ will not be as little' as 5. The use of an absoprtion cell reduces contamination and facilitates the measurement of gas pressures. 1961) The continuous photoelectric absorption cross section of helium has been measured in the spectral region extending from 180 to 600 A with greater accuracy and the observations are found to agree with the calculations of Huang and Stewart and Wilkinson. mentioned that numerical inaccuracies Lround-off errors accumulated in solving Eq. Since without the space symmetry we now need more terms in (3b) for each total power.08— —1.10. 143 (1960). D. have probable errors of about ~0. There thus seems to be a correlation between good convergence and good 2. Ithaca.762 l I 0. The results. (l+nt+tt). 1 0. .96— i o.768640. Improved zero-energy results.4 P. iggg Continuous Department Photoelectric Absorption Cross Section of Helium* D. Phys. 11.778 numerical accuracy at each step. recent success in the development of which are transparent to extreme ultraviolet radiation.1 0 3X3 0 7x7 6. ' 6.2 1. P. The computations reported here were carried out on the IBM 704 facility of the University of California Computation Center.001 radian. 8 Compare with previous results of L. the results do not converge as rapidly as for e . (4)] could be a serious problem.007 — 0.5 0.3 0.7~0. we have carried out measurements of the continuous photoelectric absorption cross section of * Supported in part by the Office of Naval Research. Lee and G. However.