(1s 1 3s 1 ) 1 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 4.579212 | .55331979 |
| 2 | 2s | 6.120927 | -1.05523785 |
| 3 | 3s | 4.598156 | 1.91330793 |
| 4 | 4s | 9.661136 | -.49966251 |
| 5 | 5s | 7.767976 | -.36879494 |
| 6 | 5s | 17.802948 | -.01077246 |
| 7 | 3s | 12.339251 | -.13282966 |
| 8 | 4s | 2.668673 | -.00061362 |
| 9 | 4s | 35.941756 | .00025685 |
| ORB.ENERGY,a.u. | -11.442000 | ||
| NORM | 1.000000 | < R > | .945296 | < R2 > | 1.015001 | < 1/R > | 1.401058 | < 1/R**2 > | 5.776393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.075975 | 1.00407624 |
| 2 | 2s | 3.986700 | .24255427 |
| 3 | 3s | 7.248235 | -.34603530 |
| 4 | 4s | 10.424875 | .07457055 |
| 5 | 5s | 9.235537 | .06030426 |
| 6 | 4s | 3.279810 | -.00179724 |
| 7 | 5s | 26.498698 | -.00011733 |
| ORB.ENERGY,a.u. | -111.440000 |
| NORM | 1.000000 | < R > | .102937 | < R2 > | .019152 | < 1/R > | 15.167928 | < 1/R**2 > | 458.983395 |
Total Energy= -123.61259284 a.u.
Kinetic Energy= 123.57464096 a.u.
Potential Energy= -247.18723380 a.u.
Virial Ratio = -2.00030712