(1s 1 4p 1 ) 3 P P 13+
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 | 6.904086 | .43883769 |
| 2 | 3p | 3.326502 | -1.00995271 |
| 3 | 5p | 3.746328 | 1.83723257 |
| 4 | 4p | 5.216882 | -.59477595 |
| 5 | 5p | 10.398075 | .01320318 |
| 6 | 4p | 22.784728 | -.00132323 |
| 7 | 5p | 3.129476 | .06480148 |
| 8 | 5p | 23.360469 | -.00009754 |
| 9 | 3p | 33.015363 | -.00012480 |
| ORB.ENERGY,a.u. | -6.506200 | ||
| NORM | 1.000000 | < R > | 1.632857 | < R2 > | 3.024299 | < 1/R > | .881701 | < 1/R**2 > | 2.094619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.758768 | .88936309 |
| 2 | 1s | 17.382654 | .10561512 |
| 3 | 2s | 16.607316 | .00935064 |
| 4 | 3s | 14.243682 | -.00546398 |
| 5 | 4s | 18.698614 | .00070581 |
| 6 | 5s | 17.067990 | .00107001 |
| ORB.ENERGY,a.u. | -111.970000 |
| NORM | 1.000000 | < R > | .100034 | < R2 > | .013343 | < 1/R > | 14.996117 | < 1/R**2 > | 449.808397 |
Total Energy= -118.64902356 a.u.
Kinetic Energy= 118.66133842 a.u.
Potential Energy= -237.31036198 a.u.
Virial Ratio = -1.99989622