(1s 2 2s 1 2p 1 ) 1 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 3.226000 | .86926068 |
| 2 | 2p | 5.532612 | .15698512 |
| 3 | 3p | 8.615073 | -.01407177 |
| 4 | 4p | 2.762657 | .01008249 |
| 5 | 5p | 11.474820 | .00393129 |
| 6 | 4p | 2.479076 | -.00412172 |
| ORB.ENERGY,a.u. | -4.859600 | ||
| NORM | 1.000000 | < R > | .727776 | < R2 > | .646289 | < 1/R > | 1.753434 | < 1/R**2 > | 4.206851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.398951 | .36802313 |
| 2 | 2s | 3.574152 | -.84562686 |
| 3 | 3s | 3.481022 | -.24785276 |
| 4 | 4s | 12.324399 | .01699174 |
| 5 | 5s | 6.300954 | -.02723910 |
| 6 | 5s | 25.424736 | .00176988 |
| 7 | 4s | 35.993027 | .00044810 |
| 8 | 3s | 1.243609 | -.00004087 |
| 9 | 3s | 44.025093 | .00002415 |
| ORB.ENERGY,a.u. | -5.377800 | ||
| NORM | 1.000000 | < R > | .824472 | < R2 > | .797483 | < 1/R > | 1.768794 | < 1/R**2 > | 12.863066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.307536 | .13143883 |
| 2 | 2s | 5.955543 | .01925867 |
| 3 | 3s | 8.630412 | -.02107709 |
| 4 | 4s | 16.476956 | .00302557 |
| 5 | 5s | 4.837056 | .00250116 |
| 6 | 1s | 8.122677 | .87348478 |
| 7 | 5s | 54.386582 | -.00004514 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .175366 | < R2 > | .041436 | < 1/R > | 8.645081 | < 1/R**2 > | 151.254354 |
Total Energy= -87.47737122 a.u.
Kinetic Energy= 87.13820916 a.u.
Potential Energy= -174.61558038 a.u.
Virial Ratio = -2.00389223