(1s 2 2s 1 ) 2 S C 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 5.168112 | .28868987 |
| 2 | 1s | 10.105692 | .01072776 |
| 3 | 2s | 2.186511 | -1.20499192 |
| 4 | 3s | 11.094293 | -.00200444 |
| 5 | 2s | 3.928944 | .19826508 |
| 6 | 4s | 1.803883 | .00064223 |
| ORB.ENERGY,a.u. | -2.365800 | ||
| NORM | 1.000000 | < R > | 1.279997 | < R2 > | 1.912113 | < 1/R > | 1.116941 | < 1/R**2 > | 5.021961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.218299 | .71549858 |
| 2 | 1s | 8.169783 | .22876803 |
| 3 | 2s | 6.445152 | .08070221 |
| 4 | 3s | 7.107590 | -.01317011 |
| 5 | 4s | 10.695877 | .00667683 |
| 6 | 5s | 7.572080 | -.00195330 |
| 7 | 5s | 3.258821 | .00067037 |
| 8 | 5s | 22.156106 | .00018801 |
| ORB.ENERGY,a.u. | -13.310000 |
| NORM | 1.000000 | < R > | .267339 | < R2 > | .096223 | < 1/R > | 5.679279 | < 1/R**2 > | 65.499669 |
Total Energy= -34.72606096 a.u.
Kinetic Energy= 34.72603650 a.u.
Potential Energy= -69.45209746 a.u.
Virial Ratio = -2.00000070