(1s 1 4s 1 ) 3 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 8.746882 | .26064830 |
| 2 | 2s | 4.688789 | -1.53595711 |
| 3 | 3s | 3.275214 | 6.15807045 |
| 4 | 4s | 3.464477 | -5.86235547 |
| 5 | 5s | 5.096081 | .28378004 |
| 6 | 4s | 8.848427 | -.05840633 |
| 7 | 5s | 56.349142 | -.00005106 |
| ORB.ENERGY,a.u. | -6.574300 | ||
| NORM | 1.000000 | < R > | 1.687830 | < R2 > | 3.204489 | < 1/R > | .881691 | < 1/R**2 > | 6.152441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.761250 | .88937694 |
| 2 | 1s | 17.406493 | .10545211 |
| 3 | 2s | 16.138077 | .01057031 |
| 4 | 3s | 15.511100 | -.00535563 |
| 5 | 4s | 13.684176 | .00005128 |
| 6 | 5s | 19.227487 | .00033531 |
| ORB.ENERGY,a.u. | -112.040000 |
| NORM | 1.000000 | < R > | .099999 | < R2 > | .013333 | < 1/R > | 15.000509 | < 1/R**2 > | 450.032506 |
Total Energy= -118.70736365 a.u.
Kinetic Energy= 118.72303275 a.u.
Potential Energy= -237.43039639 a.u.
Virial Ratio = -1.99986802