(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 P P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | .295224 | 1.23620231 |
| 2 | 3p | .830185 | -.91869213 |
| 3 | 4p | .922000 | 1.17910299 |
| 4 | 5p | .547664 | -1.94042355 |
| 5 | 3p | 2.036544 | -.18962004 |
| 6 | 2p | 9.798401 | .00998807 |
| 7 | 2p | 4.773204 | .05225373 |
| 8 | 4p | 12.576703 | .00153401 |
| 9 | 5p | .372345 | -.21880346 |
| ORB.ENERGY,a.u. | -.135540 | ||
| NORM | 1.000003 | < R > | 10.781945 | < R2 > | 130.043159 | < 1/R > | .123021 | < 1/R**2 > | .052936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.853215 | .31879359 |
| 2 | 2p | 1.403891 | -.75538175 |
| 3 | 3p | 1.806420 | -.35527340 |
| 4 | 2p | 7.713330 | .11390007 |
| 5 | 3p | 11.040142 | -.01110170 |
| 6 | 4p | 1.205132 | -.00422830 |
| 7 | 5p | 19.145331 | .00103035 |
| 8 | 5p | 1.273161 | .00129661 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.984481 | < R2 > | 4.550316 | < 1/R > | .665494 | < 1/R**2 > | .978950 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.598423 | -.16953082 |
| 2 | 1s | 10.716849 | .17826697 |
| 3 | 1s | 43.444896 | .00020520 |
| 4 | 2s | 4.708225 | -.27867759 |
| 5 | 3s | 1.985306 | .88497407 |
| 6 | 4s | 3.400162 | .18135880 |
| 7 | 3s | 29.669320 | -.00062911 |
| 8 | 5s | 1.771277 | .02453574 |
| 9 | 4s | .589296 | -.00023244 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.770700 | < R2 > | 3.588297 | < 1/R > | .757094 | < 1/R**2 > | 3.261034 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924821 | .47478100 |
| 2 | 3p | 6.070901 | .49863898 |
| 3 | 4p | 4.808397 | .12607865 |
| 4 | 5p | 3.123739 | .00314263 |
| 5 | 2p | 15.364651 | .00812427 |
| 6 | 4p | 26.420969 | -.00068413 |
| 7 | 3p | 32.757124 | -.00008223 |
| 8 | 3p | .299898 | .00006891 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482969 | < R2 > | .291213 | < 1/R > | 2.708197 | < 1/R**2 > | 10.296806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195091 | .36021291 |
| 2 | 2s | 5.445791 | -.77637927 |
| 3 | 3s | 4.879559 | -.17107903 |
| 4 | 5s | 24.131143 | .00152759 |
| 5 | 2s | 6.753838 | -.17542678 |
| 6 | 3s | 15.542803 | .00746582 |
| 7 | 4s | 3.769422 | -.00390426 |
| 8 | 4s | 28.498141 | .00133546 |
| 9 | 5s | 1.891680 | -.00004027 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514759 | < R2 > | .314660 | < 1/R > | 2.836322 | < 1/R**2 > | 33.155454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560811 | 1.01529278 |
| 2 | 2s | 19.686298 | -.02550355 |
| 3 | 3s | 11.156110 | .01966971 |
| 4 | 4s | 50.745602 | -.00002051 |
| 5 | 4s | 29.798802 | .00126852 |
| 6 | 2s | 59.778282 | .00003408 |
| 7 | 5s | 13.212782 | -.00537375 |
| 8 | 3s | 6.723083 | .00075504 |
| 9 | 4s | 1.826422 | -.00000341 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574377 | < 1/R**2 > | 428.643467 |
Total Energy= -339.77573314 a.u.
Kinetic Energy= 339.78054294 a.u.
Potential Energy= -679.55627608 a.u.
Virial Ratio = -1.99998584