(1s 1 4s 1 ) 3 S Mg 10+
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 | 7.346307 | .23764418 |
| 2 | 2s | 3.754697 | -1.39911104 |
| 3 | 3s | 2.545143 | 6.01308521 |
| 4 | 4s | 2.714245 | -5.85430730 |
| 5 | 5s | 4.113519 | .30348724 |
| 6 | 4s | 7.224726 | -.06121241 |
| 7 | 5s | 42.492843 | -.00006694 |
| ORB.ENERGY,a.u. | -4.001300 | ||
| NORM | 1.000003 | < R > | 2.139457 | < R2 > | 5.148701 | < 1/R > | .694192 | < 1/R**2 > | 3.802157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.745667 | .88930071 |
| 2 | 1s | 14.404747 | .10559796 |
| 3 | 2s | 14.325708 | .01066281 |
| 4 | 3s | 12.282042 | -.00526407 |
| 5 | 4s | 37.420009 | .00001074 |
| 6 | 5s | 15.604628 | .00006867 |
| ORB.ENERGY,a.u. | -71.501000 |
| NORM | 1.000000 | < R > | .124998 | < R2 > | .020833 | < 1/R > | 12.000505 | < 1/R**2 > | 288.025574 |
Total Energy= -75.84553782 a.u.
Kinetic Energy= 75.85768793 a.u.
Potential Energy= -151.70322575 a.u.
Virial Ratio = -1.99983983