(1s 2 2s 2 5d 1 ) 2 D C +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | .532244 | 1.34528342 |
| 2 | 4d | .413190 | -4.79849790 |
| 3 | 5d | .401000 | 4.28622378 |
| 4 | 3d | 1.908360 | .02270176 |
| 5 | 4d | .325125 | -.10356336 |
| 6 | 5d | 1.585124 | .01620848 |
| 7 | 4d | 14.452362 | .00001511 |
| ORB.ENERGY,a.u. | -.081747 | ||
| NORM | .999996 | < R > | 16.807953 | < R2 > | 321.271659 | < 1/R > | .083771 | < 1/R**2 > | .014981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.075797 | .29903112 |
| 2 | 2s | 2.128271 | -.84420356 |
| 3 | 3s | 2.221632 | -.22481697 |
| 4 | 4s | 6.614823 | .02385566 |
| 5 | 3s | 7.457018 | .01961771 |
| 6 | 5s | 2.182687 | -.04026211 |
| 7 | 5s | 23.664004 | -.00018380 |
| 8 | 3s | 65.034405 | .00000910 |
| ORB.ENERGY,a.u. | -1.580600 | ||
| NORM | 1.000000 | < R > | 1.373096 | < R2 > | 2.218849 | < 1/R > | 1.033373 | < 1/R**2 > | 4.276261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.203074 | .71564192 |
| 2 | 1s | 8.161179 | .23037388 |
| 3 | 2s | 6.403517 | .08088556 |
| 4 | 3s | 6.895897 | -.01385017 |
| 5 | 4s | 11.051236 | .00537563 |
| 6 | 5s | 7.318995 | -.00215736 |
| 7 | 3s | 22.941914 | -.00008088 |
| ORB.ENERGY,a.u. | -12.368000 |
| NORM | 1.000000 | < R > | .267410 | < R2 > | .096249 | < 1/R > | 5.677226 | < 1/R**2 > | 65.453317 |
Total Energy= -36.49077862 a.u.
Kinetic Energy= 36.49024365 a.u.
Potential Energy= -72.98102227 a.u.
Virial Ratio = -2.00001466