(1s 2 2s 2 2p 1 5p 1 ) 1 P S 10+
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 | 4.666307 | .42895946 |
| 2 | 3p | 2.565116 | -3.81070121 |
| 3 | 4p | 2.260135 | 10.20046924 |
| 4 | 5p | 2.288018 | -7.48719939 |
| 5 | 5p | 16.292029 | .00248815 |
| 6 | 4p | 35.992712 | -.00014669 |
| 7 | 2p | 10.114252 | .03625382 |
| 8 | 4p | 1.523739 | -.00928116 |
| ORB.ENERGY,a.u. | -2.577500 | ||
| NORM | .999999 | < R > | 3.120113 | < R2 > | 10.947849 | < 1/R > | .463762 | < 1/R**2 > | .748076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.675025 | 1.08140929 |
| 2 | 3p | 8.333106 | -.09559140 |
| 3 | 2p | 15.232347 | .01430731 |
| 4 | 5p | 16.540777 | .00268252 |
| 5 | 4p | 31.375250 | -.00079492 |
| 6 | 5p | 5.611827 | .00243159 |
| 7 | 5p | 96.208921 | -.00001733 |
| 8 | 4p | 4.319469 | -.00095487 |
| ORB.ENERGY,a.u. | -20.310000 | ||
| NORM | 1.000000 | < R > | .367281 | < R2 > | .163183 | < 1/R > | 3.438862 | < 1/R**2 > | 15.986842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762508 | .37918523 |
| 2 | 2s | 6.110664 | -.81246441 |
| 3 | 3s | 8.821225 | -.28392697 |
| 4 | 4s | 30.015031 | .00125448 |
| 5 | 5s | 17.071939 | -.00994188 |
| 6 | 5s | 6.781315 | .01842602 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424198 | < R2 > | .210486 | < 1/R > | 3.461910 | < 1/R**2 > | 48.454474 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.173800 | .93527050 |
| 2 | 1s | 23.820842 | .06222013 |
| 3 | 2s | 14.204436 | .02493385 |
| 4 | 3s | 23.046484 | -.00902135 |
| 5 | 4s | 18.981046 | -.01210161 |
| 6 | 5s | 41.884486 | .00073059 |
| 7 | 3s | 75.841523 | -.00002820 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096368 | < R2 > | .012437 | < 1/R > | 15.646605 | < 1/R**2 > | 492.712370 |
Total Energy= -318.94139210 a.u.
Kinetic Energy= 318.95954894 a.u.
Potential Energy= -637.90094104 a.u.
Virial Ratio = -1.99994307