(1s 2 2s 1 4p 1 ) 3 P Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 4.400214 | .43964508 |
| 2 | 3p | 2.411826 | -.81349381 |
| 3 | 5p | 2.164032 | 1.48760737 |
| 4 | 4p | 3.253604 | -.47066330 |
| 5 | 5p | 4.998862 | .08754035 |
| 6 | 4p | 11.184311 | -.01370985 |
| 7 | 5p | 24.551248 | -.00212284 |
| 8 | 4p | 41.616989 | -.00063576 |
| 9 | 3p | .838740 | .00157589 |
| 10 | 5p | 60.561489 | .00018690 |
| ORB.ENERGY,a.u. | -2.089100 | ||
| NORM | 1.000000 | < R > | 2.752562 | < R2 > | 8.590387 | < 1/R > | .523480 | < 1/R**2 > | .762989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.118893 | .39746603 |
| 2 | 2s | 4.631862 | -.77303394 |
| 3 | 3s | 5.215097 | -.30609325 |
| 4 | 5s | 9.475147 | -.04002244 |
| 5 | 4s | 20.114007 | .00774037 |
| 6 | 5s | 26.862457 | -.00203439 |
| 7 | 3s | 47.944506 | .00005871 |
| 8 | 4s | 1.042194 | .00405773 |
| 9 | 5s | 1.203366 | -.00371280 |
| ORB.ENERGY,a.u. | -10.545000 | ||
| NORM | 1.000000 | < R > | .618614 | < R2 > | .446374 | < 1/R > | 2.367625 | < 1/R**2 > | 22.628816 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.451155 | .94263860 |
| 2 | 1s | 17.111942 | .04934696 |
| 3 | 2s | 12.294652 | .01222934 |
| 4 | 3s | 8.237001 | .00248681 |
| 5 | 4s | 43.395304 | -.00064087 |
| 6 | 5s | 57.674636 | .00023654 |
| 7 | 5s | 5.204014 | .00013631 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141449 | < R2 > | .026819 | < 1/R > | 10.674258 | < 1/R**2 > | 229.763148 |
Total Energy= -127.31736216 a.u.
Kinetic Energy= 127.32105235 a.u.
Potential Energy= -254.63841450 a.u.
Virial Ratio = -1.99997102