(1s 2 2s 1 4d 1 ) 1 D S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 3.369687 | 1.87330302 |
| 2 | 4d | 3.250871 | -2.37974541 |
| 3 | 3d | 9.874193 | .00880318 |
| 4 | 4d | 10.629273 | -.00264348 |
| 5 | 5d | 29.916966 | -.00029502 |
| 6 | 5d | 2.937617 | -.00294456 |
| 7 | 4d | 52.546502 | -.00002667 |
| ORB.ENERGY,a.u. | -5.291900 | ||
| NORM | 1.000001 | < R > | 1.609499 | < R2 > | 2.964854 | < 1/R > | .819313 | < 1/R**2 > | 1.083104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.098908 | .42843899 |
| 2 | 2s | 6.919869 | -.81020538 |
| 3 | 3s | 8.347190 | -.30231889 |
| 4 | 5s | 14.455039 | -.02211405 |
| 5 | 4s | 28.686145 | .00467349 |
| 6 | 5s | 38.079361 | -.00097894 |
| 7 | 5s | 4.056989 | -.00013718 |
| 8 | 3s | 59.085444 | .00004812 |
| ORB.ENERGY,a.u. | -25.140000 | ||
| NORM | 1.000000 | < R > | .407708 | < R2 > | .193917 | < 1/R > | 3.622721 | < 1/R**2 > | 52.890457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409222 | .93890679 |
| 2 | 1s | 24.333521 | .04855383 |
| 3 | 2s | 18.813415 | .01670126 |
| 4 | 3s | 11.302750 | .00153319 |
| 5 | 4s | 64.807384 | -.00042837 |
| 6 | 5s | 86.793954 | .00015643 |
| 7 | 5s | 7.777913 | .00009871 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096125 | < R2 > | .012365 | < 1/R > | 15.674403 | < 1/R**2 > | 494.128190 |
Total Energy= -277.45042671 a.u.
Kinetic Energy= 277.28200184 a.u.
Potential Energy= -554.73242854 a.u.
Virial Ratio = -2.00060741