(1s 2 2s 2 2p 4 5p 1 ) 2 S P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 3.978863 | .21597030 |
| 2 | 3p | 1.855558 | -2.31193123 |
| 3 | 4p | 1.686276 | 4.77973041 |
| 4 | 5p | 1.479631 | -3.20019384 |
| 5 | 2p | 8.674255 | .04944939 |
| 6 | 5p | 13.801810 | .00214715 |
| 7 | 4p | 32.483363 | -.00014050 |
| 8 | 2p | 1.347200 | -.04754828 |
| ORB.ENERGY,a.u. | -1.107000 | ||
| NORM | 1.000003 | < R > | 4.614651 | < R2 > | 23.943639 | < 1/R > | .310657 | < 1/R**2 > | .352647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.126586 | 1.17920602 |
| 2 | 3p | 5.922703 | -.24950195 |
| 3 | 2p | 11.688127 | .06554529 |
| 4 | 4p | 14.007476 | .01426858 |
| 5 | 5p | 2.100982 | .00806828 |
| 6 | 5p | 20.067553 | -.00066852 |
| 7 | 4p | 59.443757 | .00002925 |
| 8 | 4p | 1.700871 | -.00819618 |
| ORB.ENERGY,a.u. | -10.983000 | ||
| NORM | 1.000000 | < R > | .440834 | < R2 > | .238465 | < 1/R > | 2.913610 | < 1/R**2 > | 11.699135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.044347 | .38605573 |
| 2 | 2s | 6.238898 | -.85680626 |
| 3 | 3s | 5.530750 | -.30483480 |
| 4 | 4s | 16.919844 | .00904130 |
| 5 | 3s | 20.211604 | .00620712 |
| 6 | 5s | 30.062775 | .00075908 |
| 7 | 5s | 6.500512 | .01608357 |
| 8 | 4s | 4.087449 | .00096436 |
| 9 | 2s | 63.168150 | .00002287 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489552 | < R2 > | .282426 | < 1/R > | 2.983704 | < 1/R**2 > | 36.412638 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210532 | .92279648 |
| 2 | 1s | 20.928410 | .07367645 |
| 3 | 2s | 8.773768 | .02038438 |
| 4 | 3s | 10.776647 | -.02032119 |
| 5 | 4s | 13.355948 | .00940942 |
| 6 | 5s | 35.791896 | .00084865 |
| 7 | 4s | 85.160356 | -.00003798 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103540 | < R2 > | .014397 | < 1/R > | 14.596651 | < 1/R**2 > | 429.653279 |
Total Energy= -317.80066974 a.u.
Kinetic Energy= 317.79441570 a.u.
Potential Energy= -635.59508544 a.u.
Virial Ratio = -2.00001968