(1s 2 2s 2 2p 6 5p 1 ) 2 P S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 9.000764 | .04781105 |
| 2 | 2p | 4.279345 | .14720834 |
| 3 | 3p | 1.970891 | -1.26165292 |
| 4 | 4p | 1.463140 | 3.48891503 |
| 5 | 5p | 1.313489 | -3.01072072 |
| 6 | 5p | 12.894113 | .00285001 |
| 7 | 4p | 31.985846 | -.00018534 |
| ORB.ENERGY,a.u. | -.853830 | ||
| NORM | 1.000003 | < R > | 5.126380 | < R2 > | 29.549511 | < 1/R > | .279348 | < 1/R**2 > | .298060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.739995 | .46406136 |
| 2 | 3p | 6.943565 | .47291421 |
| 3 | 5p | 5.470053 | .02235317 |
| 4 | 4p | 5.990415 | .14560078 |
| 5 | 2p | 16.794265 | .00601742 |
| 6 | 5p | 33.619062 | -.00030668 |
| 7 | 3p | 6.471763 | -.00506294 |
| 8 | 3p | 55.063210 | .00005961 |
| 9 | 2p | 71.708900 | .00001419 |
| 10 | 5p | 1.489654 | .00002170 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .436024 | < R2 > | .235607 | < 1/R > | 2.978852 | < 1/R**2 > | 12.374625 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.996357 | .36855554 |
| 2 | 2s | 6.437944 | -.85987558 |
| 3 | 3s | 5.591894 | -.27499293 |
| 4 | 4s | 25.045517 | .00120313 |
| 5 | 3s | 17.546864 | .00844475 |
| 6 | 5s | 11.401023 | .00018570 |
| 7 | 2s | 58.688570 | .00002352 |
| 8 | 4s | 3.989435 | -.00006546 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .473143 | < R2 > | .265048 | < 1/R > | 3.087990 | < 1/R**2 > | 39.231942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.575002 | 1.01262056 |
| 2 | 2s | 20.336775 | -.02160519 |
| 3 | 3s | 13.978319 | .01637301 |
| 4 | 4s | 54.791474 | -.00070219 |
| 5 | 4s | 6.540996 | .00237661 |
| 6 | 5s | 67.589424 | .00021797 |
| 7 | 5s | 7.179662 | -.00166410 |
| 8 | 2s | 32.050532 | -.00095043 |
| 9 | 3s | 92.878579 | -.00003177 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097125 | < R2 > | .012678 | < 1/R > | 15.569278 | < 1/R**2 > | 488.949235 |
Total Energy= -388.41808508 a.u.
Kinetic Energy= 388.41808720 a.u.
Potential Energy= -776.83617229 a.u.
Virial Ratio = -1.99999999