(1s 1 2p 1 ) 1 P N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 12.414978 | .00209244 |
| 2 | 2p | 2.960606 | .97310686 |
| 3 | 3p | 4.052178 | .03118830 |
| 4 | 4p | 4.715448 | -.00412437 |
| 5 | 5p | 17.247612 | -.00037700 |
| 6 | 4p | 2.504305 | -.00087825 |
| ORB.ENERGY,a.u. | -4.469500 | ||
| NORM | 1.000000 | < R > | .843614 | < R2 > | .853047 | < 1/R > | 1.480208 | < 1/R**2 > | 2.921763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.891808 | .75789853 |
| 2 | 1s | 7.088841 | .25608290 |
| 3 | 2s | 6.926947 | -.01615897 |
| 4 | 3s | 4.351876 | -.00156525 |
| 5 | 4s | 20.712324 | .00050197 |
| 6 | 5s | 28.129470 | -.00018693 |
| 7 | 2s | 14.911512 | .00027026 |
| ORB.ENERGY,a.u. | -22.845000 |
| NORM | 1.000000 | < R > | .213844 | < R2 > | .060923 | < 1/R > | 7.010018 | < 1/R**2 > | 98.227926 |
Total Energy= -29.06385653 a.u.
Kinetic Energy= 28.95235182 a.u.
Potential Energy= -58.01620836 a.u.
Virial Ratio = -2.00385132