(1s 2 2s 2 2p 3 ) 2 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2221.
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 | 3.817045 | 1.26053410 |
| 2 | 3p | 4.829816 | -.28131429 |
| 3 | 2p | 12.574082 | .00912763 |
| 4 | 4p | 7.642501 | -.01750237 |
| 5 | 4p | 3.213933 | .05697787 |
| 6 | 5p | 25.811416 | -.00020013 |
| 7 | 5p | 3.236201 | -.01434213 |
| ORB.ENERGY,a.u. | -4.847100 | ||
| NORM | 1.000000 | < R > | .650046 | < R2 > | .521212 | < 1/R > | 1.988782 | < 1/R**2 > | 5.495786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.001566 | .35130591 |
| 2 | 2s | 4.361249 | -.82777514 |
| 3 | 3s | 4.041631 | -.27750281 |
| 4 | 4s | 17.749547 | .00261456 |
| 5 | 3s | 10.743950 | .01792241 |
| 6 | 5s | 4.316645 | -.02881029 |
| 7 | 4s | 2.819587 | -.00189741 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .702525 | < R2 > | .583293 | < 1/R > | 2.063694 | < 1/R**2 > | 17.407924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.054073 | .90797569 |
| 2 | 1s | 15.882792 | .09877344 |
| 3 | 2s | 9.856705 | .01751650 |
| 4 | 3s | 14.809650 | -.01329647 |
| 5 | 5s | 32.405858 | .00051618 |
| 6 | 4s | 6.585904 | .00110591 |
| 7 | 5s | 15.284266 | -.00870429 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142437 | < R2 > | .027275 | < 1/R > | 10.626107 | < 1/R**2 > | 228.141586 |
Total Energy= -153.85400606 a.u.
Kinetic Energy= 153.61737066 a.u.
Potential Energy= -307.47137672 a.u.
Virial Ratio = -2.00154042