(1s 2 3s 1 ) 2 S N 4+
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 | 5.674998 | .19295841 |
| 2 | 2s | 1.773951 | -1.41972618 |
| 3 | 3s | 1.717958 | 2.16477220 |
| 4 | 4s | 3.489299 | -.19834192 |
| 5 | 5s | 6.202476 | -.03534696 |
| 6 | 4s | 12.780688 | .00258285 |
| 7 | 5s | 1.574943 | -.02524378 |
| 8 | 5s | 37.790123 | .00004357 |
| 9 | 4s | 1.096697 | .00402139 |
| ORB.ENERGY,a.u. | -1.518000 | ||
| NORM | 1.000000 | < R > | 2.476716 | < R2 > | 6.967024 | < 1/R > | .588271 | < 1/R**2 > | 2.080951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.259728 | .70791778 |
| 2 | 1s | 9.252619 | .23290477 |
| 3 | 2s | 7.091594 | .08445014 |
| 4 | 3s | 7.118924 | -.01434468 |
| 5 | 4s | 12.703920 | .00454979 |
| 6 | 5s | 47.173197 | -.00003020 |
| 7 | 5s | 2.043037 | -.00010905 |
| ORB.ENERGY,a.u. | -19.663000 |
| NORM | 1.000000 | < R > | .226570 | < R2 > | .068956 | < 1/R > | 6.685392 | < 1/R**2 > | 90.521504 |
Total Energy= -46.25342785 a.u.
Kinetic Energy= 46.25342733 a.u.
Potential Energy= -92.50685518 a.u.
Virial Ratio = -2.00000001