(1s 2 2s 1 2p 1 ) 3 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 3.350015 | .93723394 |
| 2 | 2p | 5.814497 | .09159547 |
| 3 | 3p | 8.174039 | -.02269456 |
| 4 | 4p | 5.225024 | .00384785 |
| 5 | 5p | 3.211338 | .00144918 |
| 6 | 5p | 21.918468 | -.00021661 |
| ORB.ENERGY,a.u. | -5.319900 | ||
| NORM | 1.000000 | < R > | .725069 | < R2 > | .635977 | < 1/R > | 1.744435 | < 1/R**2 > | 4.131829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.394461 | .37185120 |
| 2 | 2s | 3.574547 | -.86174078 |
| 3 | 3s | 4.071292 | -.25026326 |
| 4 | 4s | 10.530201 | .05028765 |
| 5 | 5s | 12.542955 | -.01706574 |
| 6 | 5s | 3.832257 | -.01763703 |
| 7 | 3s | 15.636555 | .00346675 |
| 8 | 4s | 7.357637 | -.00406371 |
| ORB.ENERGY,a.u. | -5.838100 | ||
| NORM | 1.000000 | < R > | .804068 | < R2 > | .755755 | < 1/R > | 1.801867 | < 1/R**2 > | 13.120541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.137376 | .87071502 |
| 2 | 1s | 12.283312 | .13306127 |
| 3 | 2s | 7.192764 | .01646820 |
| 4 | 3s | 8.905094 | -.01861449 |
| 5 | 4s | 16.528575 | .00335204 |
| 6 | 5s | 6.051152 | -.00035173 |
| 7 | 5s | 56.744084 | -.00003528 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174659 | < R2 > | .040964 | < 1/R > | 8.663194 | < 1/R**2 > | 151.716958 |
Total Energy= -87.48124279 a.u.
Kinetic Energy= 87.59804505 a.u.
Potential Energy= -175.07928784 a.u.
Virial Ratio = -1.99866661