(1s 1 2p 1 ) 1 P C 4+
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 | 10.679223 | .00224214 |
| 2 | 2p | 2.460779 | .96810168 |
| 3 | 3p | 3.394567 | .03813956 |
| 4 | 4p | 3.983364 | -.00571616 |
| 5 | 5p | 14.559714 | -.00043219 |
| 6 | 4p | 2.168775 | -.00136268 |
| ORB.ENERGY,a.u. | -3.096300 | ||
| NORM | 1.000000 | < R > | 1.014369 | < R2 > | 1.232986 | < 1/R > | 1.230604 | < 1/R**2 > | 2.018824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.902942 | .75828312 |
| 2 | 1s | 6.086135 | .25604116 |
| 3 | 2s | 5.813361 | -.01657488 |
| 4 | 3s | 3.464803 | -.00153085 |
| 5 | 4s | 18.929353 | .00046009 |
| 6 | 5s | 25.452315 | -.00019083 |
| 7 | 2s | 15.602126 | .00010938 |
| ORB.ENERGY,a.u. | -16.596000 |
| NORM | 1.000000 | < R > | .249410 | < R2 > | .082861 | < 1/R > | 6.009690 | < 1/R**2 > | 72.187960 |
Total Energy= -21.17429095 a.u.
Kinetic Energy= 21.08709991 a.u.
Potential Energy= -42.26139086 a.u.
Virial Ratio = -2.00413480