(1s 2 2s 1 3p 1 ) 1 P P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 4.824608 | 1.02967340 |
| 2 | 3p | 4.031894 | -1.63140490 |
| 3 | 2p | 12.232564 | .02785707 |
| 4 | 4p | 15.561520 | .00721942 |
| 5 | 3p | 36.706012 | .00006769 |
| 6 | 5p | 3.592534 | .00232528 |
| ORB.ENERGY,a.u. | -8.295900 | ||
| NORM | 1.000000 | < R > | 1.004504 | < R2 > | 1.162175 | < 1/R > | 1.387363 | < 1/R**2 > | 3.956728 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.145280 | .43111450 |
| 2 | 2s | 6.614515 | -.80163944 |
| 3 | 3s | 7.446853 | -.30908406 |
| 4 | 5s | 12.681126 | -.03228079 |
| 5 | 4s | 27.391943 | .00538155 |
| 6 | 5s | 36.995902 | -.00115510 |
| 7 | 4s | 4.653864 | .00089705 |
| 8 | 3s | 56.932892 | .00005202 |
| ORB.ENERGY,a.u. | -21.273000 | ||
| NORM | 1.000000 | < R > | .438063 | < R2 > | .223690 | < 1/R > | 3.364745 | < 1/R**2 > | 45.642153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.415752 | .93940802 |
| 2 | 1s | 22.979489 | .04828602 |
| 3 | 2s | 17.446574 | .01657495 |
| 4 | 3s | 9.252829 | .00128847 |
| 5 | 4s | 57.437380 | -.00052341 |
| 6 | 5s | 75.429556 | .00019455 |
| 7 | 5s | 17.856096 | .00080025 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102777 | < R2 > | .014143 | < 1/R > | 14.667648 | < 1/R**2 > | 432.942243 |
Total Energy= -246.47433594 a.u.
Kinetic Energy= 246.42699903 a.u.
Potential Energy= -492.90133497 a.u.
Virial Ratio = -2.00019209