(1s 1 4s 1 ) 3 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 4.257929 | .22309991 |
| 2 | 2s | 2.798946 | -.71205778 |
| 3 | 3s | 1.348996 | 3.93783012 |
| 4 | 4s | 1.468860 | -4.74789278 |
| 5 | 5s | 2.306471 | .70751198 |
| 6 | 4s | 4.040477 | -.12434358 |
| 7 | 5s | 26.611676 | -.00008810 |
| ORB.ENERGY,a.u. | -1.182000 | ||
| NORM | .999999 | < R > | 3.863542 | < R2 > | 16.789661 | < 1/R > | .381688 | < 1/R**2 > | 1.135196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.881277 | .75767052 |
| 2 | 1s | 7.102271 | .25598371 |
| 3 | 2s | 6.928827 | -.01539732 |
| 4 | 3s | 8.652343 | -.00039993 |
| 5 | 4s | 6.402575 | .00005146 |
| ORB.ENERGY,a.u. | -24.151000 |
| NORM | 1.000000 | < R > | .214278 | < R2 > | .061224 | < 1/R > | 7.000485 | < 1/R**2 > | 98.013918 |
Total Energy= -25.65917376 a.u.
Kinetic Energy= 25.66550173 a.u.
Potential Energy= -51.32467549 a.u.
Virial Ratio = -1.99975344