(1s 2 2s 2 2p 5 4p 1 ) 1 D S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 7.513401 | .18334552 |
| 2 | 3p | 1.443861 | 2.25099280 |
| 3 | 4p | 2.952700 | -1.41457426 |
| 4 | 5p | 5.310869 | -.16521699 |
| 5 | 3p | 12.615995 | -.00760174 |
| 6 | 5p | 1.552171 | -.48946438 |
| 7 | 4p | 17.791045 | .00121237 |
| 8 | 3p | .739183 | .06629848 |
| 9 | 5p | 75.467581 | .00000878 |
| 10 | 5p | .857789 | -.02740084 |
| ORB.ENERGY,a.u. | -1.832300 | ||
| NORM | 1.000001 | < R > | 2.745547 | < R2 > | 8.523306 | < 1/R > | .510883 | < 1/R**2 > | .764659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.366388 | 1.20480396 |
| 2 | 3p | 6.325160 | -.27709450 |
| 3 | 2p | 12.135544 | .07144290 |
| 4 | 5p | 36.761796 | -.00013960 |
| 5 | 4p | 14.660448 | .01076421 |
| 6 | 5p | 2.080612 | .00083662 |
| ORB.ENERGY,a.u. | -11.512000 | ||
| NORM | 1.000000 | < R > | .420142 | < R2 > | .217425 | < 1/R > | 3.070073 | < 1/R**2 > | 13.047037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.866284 | .38263397 |
| 2 | 2s | 6.654556 | -.83898912 |
| 3 | 3s | 5.944511 | -.30440707 |
| 4 | 4s | 17.912093 | .00392622 |
| 5 | 3s | 18.465937 | .00709262 |
| 6 | 5s | 34.121578 | .00058446 |
| 7 | 5s | 4.802197 | -.00536244 |
| 8 | 4s | 3.786176 | .00357651 |
| 9 | 3s | 54.572499 | -.00004194 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462912 | < R2 > | .252964 | < 1/R > | 3.157811 | < 1/R**2 > | 40.891936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177925 | .92276379 |
| 2 | 1s | 22.252140 | .07349946 |
| 3 | 2s | 9.351596 | .02084169 |
| 4 | 3s | 11.601997 | -.02142668 |
| 5 | 4s | 14.407830 | .01071295 |
| 6 | 5s | 38.331817 | .00073941 |
| 7 | 4s | 86.759171 | -.00003639 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097019 | < R2 > | .012644 | < 1/R > | 15.579758 | < 1/R**2 > | 489.454131 |
Total Energy= -379.11985515 a.u.
Kinetic Energy= 379.11565717 a.u.
Potential Energy= -758.23551231 a.u.
Virial Ratio = -2.00001107