(1s 1 4s 1 ) 1 S P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 2.430406 | 1.01783370 |
| 2 | 2s | 4.559980 | -2.81611541 |
| 3 | 3s | 3.493829 | 5.70003476 |
| 4 | 4s | 3.490645 | -5.00740112 |
| 5 | 5s | 9.948024 | .03267576 |
| 6 | 2s | 8.388629 | .18985147 |
| 7 | 4s | 28.643005 | .00071028 |
| 8 | 2s | 17.407101 | .00192586 |
| ORB.ENERGY,a.u. | -6.548900 | ||
| NORM | .999998 | < R > | 1.691530 | < R2 > | 3.221353 | < 1/R > | .815842 | < 1/R**2 > | 2.716757 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.015083 | 1.00303802 |
| 2 | 2s | 2.754655 | .12086643 |
| 3 | 3s | 7.627342 | -.08120121 |
| 4 | 4s | 9.921700 | .01856227 |
| 5 | 5s | 3.659087 | -.10835384 |
| 6 | 5s | 19.362190 | -.00029857 |
| ORB.ENERGY,a.u. | -112.020000 |
| NORM | 1.000000 | < R > | .102562 | < R2 > | .020125 | < 1/R > | 15.064434 | < 1/R**2 > | 453.477514 |
Total Energy= -118.71646794 a.u.
Kinetic Energy= 118.69811000 a.u.
Potential Energy= -237.41457794 a.u.
Virial Ratio = -2.00015466