(1s 2 2s 2 3p 1 ) 2 P F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 1.793540 | -1.35492077 |
| 2 | 2p | 2.445411 | .71977361 |
| 3 | 2p | 6.354471 | .05726625 |
| 4 | 4p | 7.554941 | .01926193 |
| 5 | 5p | 4.224646 | -.03189611 |
| 6 | 3p | 22.732174 | .00001098 |
| ORB.ENERGY,a.u. | -1.593200 | ||
| NORM | 1.000000 | < R > | 2.175010 | < R2 > | 5.438559 | < 1/R > | .637679 | < 1/R**2 > | .870132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.278645 | .37462740 |
| 2 | 2s | 3.628572 | -.88093157 |
| 3 | 3s | 3.741723 | -.24894654 |
| 4 | 4s | 9.984752 | .02564756 |
| 5 | 3s | 12.665193 | .01328569 |
| 6 | 5s | 3.393968 | -.01584939 |
| 7 | 5s | 29.528821 | -.00084675 |
| 8 | 4s | 43.737292 | -.00021263 |
| ORB.ENERGY,a.u. | -5.094600 | ||
| NORM | 1.000000 | < R > | .814213 | < R2 > | .776893 | < 1/R > | 1.776963 | < 1/R**2 > | 12.740422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.056479 | .84885724 |
| 2 | 1s | 12.481450 | .14841996 |
| 3 | 2s | 10.699258 | .02075465 |
| 4 | 3s | 9.337971 | -.01618929 |
| 5 | 4s | 16.361969 | .00380901 |
| 6 | 5s | 5.116171 | -.00012214 |
| 7 | 3s | 32.312508 | -.00009584 |
| ORB.ENERGY,a.u. | -31.246000 |
| NORM | 1.000000 | < R > | .174411 | < R2 > | .040822 | < 1/R > | 8.670385 | < 1/R**2 > | 151.896747 |
Total Energy= -89.52697799 a.u.
Kinetic Energy= 89.52697632 a.u.
Potential Energy= -179.05395432 a.u.
Virial Ratio = -2.00000002