(1s 2 2s 2 2p 4 4p 1 ) 2 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 7.797691 | .18880586 |
| 2 | 3p | 1.718715 | 2.21768710 |
| 3 | 4p | 3.220132 | -1.63079242 |
| 4 | 5p | 5.766215 | -.16366922 |
| 5 | 3p | 16.611481 | -.00205482 |
| 6 | 5p | 1.631377 | -.25556285 |
| 7 | 4p | 1.119009 | .09853737 |
| 8 | 3p | .685761 | -.03919452 |
| 9 | 5p | .719663 | .00882875 |
| ORB.ENERGY,a.u. | -2.305700 | ||
| NORM | 1.000001 | < R > | 2.493015 | < R2 > | 7.027999 | < 1/R > | .564306 | < 1/R**2 > | .917273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.568393 | 1.15118695 |
| 2 | 3p | 6.337148 | -.22867369 |
| 3 | 2p | 12.253910 | .07185365 |
| 4 | 4p | 14.340287 | .01650390 |
| 5 | 5p | 2.331753 | .00088023 |
| 6 | 5p | 17.104768 | -.00163904 |
| 7 | 4p | 59.970258 | .00003232 |
| 8 | 4p | 4.162792 | -.00155646 |
| ORB.ENERGY,a.u. | -13.296000 | ||
| NORM | 1.000000 | < R > | .404846 | < R2 > | .200738 | < 1/R > | 3.165308 | < 1/R**2 > | 13.770050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.785641 | .39517816 |
| 2 | 2s | 6.763225 | -.85083734 |
| 3 | 3s | 6.227664 | -.29855168 |
| 4 | 4s | 17.078580 | .00651189 |
| 5 | 3s | 19.127299 | .00844567 |
| 6 | 5s | 33.790454 | .00051335 |
| 7 | 5s | 5.281137 | -.00508098 |
| 8 | 4s | 3.764551 | .00206018 |
| 9 | 2s | 68.103310 | .00001693 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452839 | < R2 > | .241422 | < 1/R > | 3.230596 | < 1/R**2 > | 42.654292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.163631 | .91845764 |
| 2 | 1s | 22.041807 | .07818721 |
| 3 | 2s | 9.716746 | .01984967 |
| 4 | 3s | 11.831905 | -.01992847 |
| 5 | 4s | 14.328128 | .00905970 |
| 6 | 5s | 39.143786 | .00076826 |
| 7 | 4s | 89.058517 | -.00002997 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096891 | < R2 > | .012603 | < 1/R > | 15.592527 | < 1/R**2 > | 490.072030 |
Total Energy= -367.58192911 a.u.
Kinetic Energy= 367.56602390 a.u.
Potential Energy= -735.14795300 a.u.
Virial Ratio = -2.00004327