(1s 2 2s 2 2p 3 5s 1 ) 3 S F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 9.831179 | .01787918 |
| 2 | 2s | 2.273562 | -.11871073 |
| 3 | 3s | .951947 | .72925418 |
| 4 | 4s | .612177 | -1.99806063 |
| 5 | 5s | .495534 | 2.00547268 |
| 6 | 5s | 8.021538 | -.00924571 |
| 7 | 4s | 17.590076 | .00139801 |
| 8 | 2s | 12.130851 | .00351250 |
| 9 | 5s | 51.074061 | .00004558 |
| ORB.ENERGY,a.u. | -.116360 | ||
| NORM | 1.000001 | < R > | 12.937240 | < R2 > | 187.531569 | < 1/R > | .105445 | < 1/R**2 > | .084602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.774372 | .01831611 |
| 2 | 3p | 2.641511 | -.00233541 |
| 3 | 4p | 2.287493 | .01937086 |
| 4 | 5p | 11.108361 | .00322571 |
| 5 | 2p | 2.514861 | .74695593 |
| 6 | 2p | 4.235159 | .26261315 |
| ORB.ENERGY,a.u. | -2.165400 | ||
| NORM | 1.000000 | < R > | .878555 | < R2 > | .960275 | < 1/R > | 1.486436 | < 1/R**2 > | 3.107280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.129458 | .33960610 |
| 2 | 2s | 3.504011 | -.77722088 |
| 3 | 3s | 2.866325 | -.36378767 |
| 4 | 5s | 8.374909 | .00440122 |
| 5 | 4s | 11.115348 | .00854808 |
| 6 | 5s | .455082 | .09462742 |
| 7 | 4s | .383970 | -.13909521 |
| 8 | 2s | 14.388185 | -.00392234 |
| 9 | 3s | .303582 | .04847893 |
| 10 | 3s | 21.088691 | -.00038736 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .920283 | < R2 > | 1.012947 | < 1/R > | 1.566604 | < 1/R**2 > | 10.040499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.101805 | .85303448 |
| 2 | 1s | 11.774653 | .15340444 |
| 3 | 2s | 7.581482 | -.00535944 |
| 4 | 3s | 4.541898 | .00570128 |
| 5 | 4s | 17.236472 | .00384767 |
| 6 | 5s | 69.442825 | -.00000667 |
| 7 | 5s | 5.566846 | -.00226848 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175515 | < R2 > | .041469 | < 1/R > | 8.636844 | < 1/R**2 > | 151.001701 |
Total Energy= -97.72697026 a.u.
Kinetic Energy= 97.72529493 a.u.
Potential Energy= -195.45226519 a.u.
Virial Ratio = -2.00001714