(1s 2 2s 2 2p 3 3p 1 ) 5 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5131.
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 | 2p | 3.610920 | .18212463 |
| 2 | 3p | .902107 | -.93775231 |
| 3 | 2p | 10.346296 | .00202639 |
| 4 | 4p | 3.374077 | .06730969 |
| 5 | 5p | 1.716812 | -.08387304 |
| 6 | 4p | .585370 | -.00213688 |
| ORB.ENERGY,a.u. | -.354590 | ||
| NORM | 1.000000 | < R > | 3.856146 | < R2 > | 17.011747 | < 1/R > | .331679 | < 1/R**2 > | .231277 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.518397 | .74832847 |
| 2 | 2p | 4.228538 | .26007750 |
| 3 | 2p | 8.718190 | .01887425 |
| 4 | 3p | 3.170571 | -.00281517 |
| 5 | 4p | 2.157740 | .02223567 |
| 6 | 5p | 11.055446 | .00338751 |
| 7 | 5p | 1.057842 | .00076982 |
| ORB.ENERGY,a.u. | -1.923600 | ||
| NORM | 1.000000 | < R > | .880754 | < R2 > | .966699 | < 1/R > | 1.484310 | < 1/R**2 > | 3.100392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.507388 | .31344836 |
| 2 | 2s | 3.289233 | -.85220600 |
| 3 | 3s | 2.675138 | -.27783911 |
| 4 | 4s | 10.955477 | .01267412 |
| 5 | 3s | 12.103256 | .00802767 |
| 6 | 5s | 1.943074 | -.01451680 |
| 7 | 5s | 37.329320 | -.00011846 |
| 8 | 3s | 1.617546 | .02698848 |
| 9 | 4s | 53.306783 | -.00002977 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .922878 | < R2 > | 1.014481 | < 1/R > | 1.562298 | < 1/R**2 > | 9.990383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.101339 | .85235896 |
| 2 | 1s | 11.737622 | .15453043 |
| 3 | 2s | 8.407449 | -.00562156 |
| 4 | 3s | 5.393509 | .00331063 |
| 5 | 4s | 17.307484 | .00394217 |
| 6 | 5s | 72.509366 | -.00000415 |
| 7 | 3s | 1.860614 | .00005233 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175530 | < R2 > | .041477 | < 1/R > | 8.636379 | < 1/R**2 > | 150.989275 |
Total Energy= -97.95250278 a.u.
Kinetic Energy= 97.96354418 a.u.
Potential Energy= -195.91604696 a.u.
Virial Ratio = -1.99988729