(1s 2 2s 2 2p 2 3p 1 ) 2 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p | 1.202043 | -1.13097375 |
| 2 | 2p | 2.020541 | .28515817 |
| 3 | 2p | 5.594980 | .04482461 |
| 4 | 4p | 6.017232 | .02752549 |
| 5 | 5p | 7.043773 | -.00904598 |
| 6 | 5p | .961890 | -.00172025 |
| ORB.ENERGY,a.u. | -.672510 | ||
| NORM | 1.000000 | < R > | 3.143716 | < R2 > | 11.079362 | < 1/R > | .382085 | < 1/R**2 > | .248066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 39.527864 | .00001776 |
| 2 | 2p | 2.828441 | .84270157 |
| 3 | 2p | 4.860312 | .18178689 |
| 4 | 2p | 10.919717 | .00666052 |
| 5 | 3p | 1.806826 | .01927971 |
| 6 | 4p | 1.532115 | -.05470423 |
| 7 | 5p | 37.818440 | .00004519 |
| 8 | 5p | 1.222381 | -.00698776 |
| ORB.ENERGY,a.u. | -2.722000 | ||
| NORM | 1.000000 | < R > | .802434 | < R2 > | .792086 | < 1/R > | 1.596939 | < 1/R**2 > | 3.518187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.422659 | .33326404 |
| 2 | 2s | 3.410817 | -.85568474 |
| 3 | 3s | 3.021281 | -.26348446 |
| 4 | 4s | 10.425796 | .01666077 |
| 5 | 3s | 12.574469 | .00938890 |
| 6 | 5s | 2.553603 | -.00394764 |
| 7 | 5s | 27.806674 | -.00023858 |
| 8 | 3s | 23.472067 | -.00047809 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .883614 | < R2 > | .923605 | < 1/R > | 1.631500 | < 1/R**2 > | 10.842408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.279649 | .68766172 |
| 2 | 1s | 12.188431 | .22273890 |
| 3 | 1s | 2.859223 | .00569098 |
| 4 | 2s | 9.061030 | .12762854 |
| 5 | 3s | 10.203681 | -.02736910 |
| 6 | 4s | 16.993872 | .00365191 |
| 7 | 5s | 4.838653 | -.00104936 |
| 8 | 5s | 57.426120 | -.00002025 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175264 | < R2 > | .041318 | < 1/R > | 8.644234 | < 1/R**2 > | 151.196753 |
Total Energy= -96.00167236 a.u.
Kinetic Energy= 95.99205698 a.u.
Potential Energy= -191.99372934 a.u.
Virial Ratio = -2.00010017