(1s 2 3s 1 ) 2 S P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 10.528110 | .28687737 |
| 2 | 2s | 4.829203 | -1.48742370 |
| 3 | 3s | 4.342645 | 2.09994374 |
| 4 | 4s | 7.700675 | -.19406761 |
| 5 | 5s | 13.482376 | -.02635831 |
| 6 | 5s | 3.193865 | -.00666046 |
| 7 | 4s | 30.382418 | .00187759 |
| 8 | 5s | 43.701951 | -.00040373 |
| 9 | 4s | 2.286174 | .00379199 |
| 10 | 2s | 19.722988 | .00026212 |
| 11 | 3s | 1.395932 | -.00065340 |
| ORB.ENERGY,a.u. | -9.772700 | ||
| NORM | 1.000000 | < R > | 1.001271 | < R2 > | 1.138505 | < 1/R > | 1.479167 | < 1/R**2 > | 13.185230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.426799 | .93808302 |
| 2 | 1s | 22.599324 | .05020499 |
| 3 | 2s | 17.086408 | .01652721 |
| 4 | 3s | 14.843725 | .00122384 |
| 5 | 4s | 22.664991 | -.00116083 |
| 6 | 5s | 31.271534 | .00048224 |
| 7 | 3s | 39.856764 | -.00045032 |
| 8 | 5s | 4.804242 | -.00006652 |
| ORB.ENERGY,a.u. | -102.110000 |
| NORM | 1.000000 | < R > | .102597 | < R2 > | .014082 | < 1/R > | 14.684598 | < 1/R**2 > | 433.743464 |
Total Energy= -225.48376671 a.u.
Kinetic Energy= 225.48376737 a.u.
Potential Energy= -450.96753408 a.u.
Virial Ratio = -2.00000000