(1s 1 4s 1 ) 1 S Cl 15+
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 | 2.662749 | 1.08637278 |
| 2 | 2s | 5.335573 | -2.73686976 |
| 3 | 3s | 3.949651 | 5.55863909 |
| 4 | 4s | 3.970536 | -5.07034100 |
| 5 | 5s | 11.663832 | .03399910 |
| 6 | 2s | 9.537979 | .21487935 |
| 7 | 4s | 33.127316 | .00054151 |
| 8 | 2s | 22.662596 | .00099017 |
| 9 | 5s | 1.436590 | -.00017968 |
| ORB.ENERGY,a.u. | -8.663000 | ||
| NORM | 1.000000 | < R > | 1.482227 | < R2 > | 2.473573 | < 1/R > | .931667 | < 1/R**2 > | 3.564568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.017154 | 1.00308755 |
| 2 | 2s | 3.055456 | .12742685 |
| 3 | 3s | 8.588526 | -.08377801 |
| 4 | 4s | 10.991539 | .02021348 |
| 5 | 5s | 4.185204 | -.11478031 |
| 6 | 5s | 24.781886 | -.00012005 |
| 7 | 4s | 2.397490 | -.00093099 |
| ORB.ENERGY,a.u. | -144.130000 |
| NORM | 1.000000 | < R > | .090520 | < R2 > | .015683 | < 1/R > | 17.073607 | < 1/R**2 > | 582.515078 |
Total Energy= -152.60491862 a.u.
Kinetic Energy= 152.58363360 a.u.
Potential Energy= -305.18855222 a.u.
Virial Ratio = -2.00013950