(1s 1 5s 1 ) 1 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | .924075 | .88442587 |
| 2 | 2s | 1.407852 | -4.16900597 |
| 3 | 3s | 1.466542 | 7.76753188 |
| 4 | 4s | 1.132408 | -15.79995404 |
| 5 | 5s | 1.189839 | 12.22593336 |
| 6 | 2s | 4.764466 | .03617004 |
| 7 | 5s | 14.447932 | .00084575 |
| 8 | 2s | 13.699348 | -.00041212 |
| ORB.ENERGY,a.u. | -.751570 | ||
| NORM | .999999 | < R > | 6.115968 | < R2 > | 41.908447 | < 1/R > | .229094 | < 1/R**2 > | .253857 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .312876 | .93389801 |
| 2 | 1s | 7.013248 | .99033660 |
| 3 | 2s | 2.366308 | -.16814472 |
| 4 | 3s | 1.014069 | -.59027550 |
| 5 | 4s | 4.638798 | .01255794 |
| 6 | 5s | .751600 | -.27713678 |
| 7 | 4s | .433935 | -.15770096 |
| 8 | 5s | 11.497337 | .00026373 |
| 9 | 3s | 31.367566 | -.00001396 |
| ORB.ENERGY,a.u. | -24.272000 |
| NORM | 1.000000 | < R > | .218437 | < R2 > | .096515 | < 1/R > | 7.013524 | < 1/R**2 > | 98.332459 |
Total Energy= -25.23904746 a.u.
Kinetic Energy= 25.23530238 a.u.
Potential Energy= -50.47434984 a.u.
Virial Ratio = -2.00014841