(1s 2 2s 2 2p 5 3d 1 ) 1 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 2.357750 | 1.02324004 |
| 2 | 3d | 7.949858 | .01197691 |
| 3 | 4d | 2.941837 | -.02698746 |
| 4 | 5d | 18.995691 | -.00014460 |
| ORB.ENERGY,a.u. | -2.749200 | ||
| NORM | 1.000000 | < R > | 1.477283 | < R2 > | 2.501629 | < 1/R > | .794306 | < 1/R**2 > | .765920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.390367 | 1.19805585 |
| 2 | 3p | 6.382795 | -.26958256 |
| 3 | 2p | 12.121519 | .07104416 |
| 4 | 4p | 14.472380 | .01095269 |
| 5 | 5p | 2.830598 | -.00035472 |
| 6 | 5p | 38.807637 | -.00012998 |
| ORB.ENERGY,a.u. | -10.966000 | ||
| NORM | 1.000000 | < R > | .419635 | < R2 > | .216804 | < 1/R > | 3.072890 | < 1/R**2 > | 13.068005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.858212 | .38282926 |
| 2 | 2s | 6.664887 | -.83827703 |
| 3 | 3s | 5.951161 | -.30437742 |
| 4 | 4s | 17.728216 | .00406143 |
| 5 | 3s | 17.782550 | .00696315 |
| 6 | 5s | 33.198194 | .00099775 |
| 7 | 5s | 5.416722 | -.00448278 |
| 8 | 4s | 39.929870 | .00023732 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .463250 | < R2 > | .253435 | < 1/R > | 3.156194 | < 1/R**2 > | 40.857328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178525 | .92260151 |
| 2 | 1s | 22.237631 | .07365672 |
| 3 | 2s | 9.339032 | .02084412 |
| 4 | 3s | 11.625892 | -.02138616 |
| 5 | 4s | 14.468524 | .01062881 |
| 6 | 5s | 38.398151 | .00077028 |
| 7 | 4s | 88.692193 | -.00003346 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580471 | < 1/R**2 > | 489.489596 |
Total Energy= -380.12713977 a.u.
Kinetic Energy= 380.03361448 a.u.
Potential Energy= -760.16075425 a.u.
Virial Ratio = -2.00024610