(1s 1 5s 1 ) 3 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 10.368933 | .14419257 |
| 2 | 2s | 4.147339 | -1.99223370 |
| 3 | 3s | 3.136507 | 7.43825077 |
| 4 | 4s | 2.600373 | -19.42824805 |
| 5 | 5s | 2.751219 | 14.61964926 |
| 6 | 2s | 7.452150 | .20563735 |
| 7 | 5s | 24.113540 | .00092435 |
| 8 | 4s | 1.616849 | .00825189 |
| 9 | 4s | 34.109748 | .00011771 |
| ORB.ENERGY,a.u. | -4.314300 | ||
| NORM | 1.000000 | < R > | 2.645472 | < R2 > | 7.837847 | < 1/R > | .563415 | < 1/R**2 > | 3.137179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760890 | .88937566 |
| 2 | 1s | 17.406918 | .10545461 |
| 3 | 2s | 16.064567 | .01067057 |
| 4 | 3s | 15.649096 | -.00530725 |
| 5 | 4s | 16.700539 | .00002962 |
| 6 | 5s | 19.577465 | .00016292 |
| ORB.ENERGY,a.u. | -112.310000 |
| NORM | 1.000000 | < R > | .100000 | < R2 > | .013333 | < 1/R > | 15.000241 | < 1/R**2 > | 450.015717 |
Total Energy= -116.46183163 a.u.
Kinetic Energy= 116.46968968 a.u.
Potential Energy= -232.93152131 a.u.
Virial Ratio = -1.99993253