(1s 2 3p 1 ) 2 P C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 1.307458 | 1.75648351 |
| 2 | 3p | 1.362844 | -2.36483712 |
| 3 | 2p | 3.382529 | .01845736 |
| 4 | 3p | 2.120408 | -.02324234 |
| 5 | 2p | 6.760170 | .00721020 |
| 6 | 5p | 1.365776 | -.01634502 |
| 7 | 4p | 25.367958 | .00002119 |
| ORB.ENERGY,a.u. | -.909890 | ||
| NORM | 1.000000 | < R > | 3.045161 | < R2 > | 10.700255 | < 1/R > | .461119 | < 1/R**2 > | .441901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.221012 | .71464176 |
| 2 | 1s | 8.148353 | .23025352 |
| 3 | 2s | 6.422034 | .08091740 |
| 4 | 3s | 6.297690 | -.01388707 |
| 5 | 4s | 10.178723 | .00472202 |
| 6 | 5s | 30.774650 | -.00014375 |
| 7 | 5s | 3.486671 | -.00025982 |
| 8 | 3s | 30.816443 | -.00007687 |
| ORB.ENERGY,a.u. | -13.859000 |
| NORM | 1.000000 | < R > | .267067 | < R2 > | .095965 | < 1/R > | 5.683163 | < 1/R**2 > | 65.576495 |
Total Energy= -33.27097702 a.u.
Kinetic Energy= 33.27097449 a.u.
Potential Energy= -66.54195151 a.u.
Virial Ratio = -2.00000008