(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 D P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | .468798 | .52503624 |
| 2 | 4d | .263938 | -1.32507453 |
| 3 | 3d | 1.242789 | .31013325 |
| 4 | 4d | 1.502929 | -.16304696 |
| 5 | 5d | 2.901911 | -.01180821 |
| 6 | 5d | .438417 | .31464508 |
| 7 | 3d | 5.832007 | .00287207 |
| ORB.ENERGY,a.u. | -.161920 | ||
| NORM | .999996 | < R > | 17.648352 | < R2 > | 369.362927 | < 1/R > | .088735 | < 1/R**2 > | .018506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.104705 | .26306464 |
| 2 | 2p | 1.070763 | -.88594731 |
| 3 | 3p | 1.989472 | -.28771755 |
| 4 | 2p | 8.138532 | .08446875 |
| 5 | 4p | 1.227533 | .12444412 |
| 6 | 3p | 12.485450 | -.00429055 |
| 7 | 4p | 30.169939 | -.00013151 |
| 8 | 5p | .338765 | .00090229 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.143068 | < R2 > | 5.362927 | < 1/R > | .615854 | < 1/R**2 > | .836504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.361711 | -.17694915 |
| 2 | 1s | 10.701088 | .17026755 |
| 3 | 1s | 41.171357 | .00023301 |
| 4 | 2s | 4.743780 | -.24286774 |
| 5 | 3s | 1.911916 | .83926369 |
| 6 | 4s | 3.415350 | .19459424 |
| 7 | 3s | 29.337330 | -.00057779 |
| 8 | 5s | 1.708241 | .06549561 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.850468 | < R2 > | 3.948100 | < 1/R > | .724197 | < 1/R**2 > | 2.963183 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372277 | .42816009 |
| 2 | 3p | 6.500499 | .49495554 |
| 3 | 2p | 20.149593 | .00249398 |
| 4 | 4p | 5.240581 | .18067515 |
| 5 | 5p | 4.035558 | .01285437 |
| 6 | 3p | 38.337199 | .00006583 |
| 7 | 4p | 80.259484 | -.00000234 |
| 8 | 3p | 1.596154 | .00091144 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483332 | < R2 > | .291734 | < 1/R > | 2.706707 | < 1/R**2 > | 10.287146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194735 | .35988292 |
| 2 | 2s | 5.437945 | -.77666458 |
| 3 | 3s | 4.857175 | -.17145822 |
| 4 | 4s | 23.648381 | .00226824 |
| 5 | 2s | 6.760123 | -.17609796 |
| 6 | 3s | 15.376868 | .00817116 |
| 7 | 5s | 4.029910 | -.00308570 |
| 8 | 4s | 1.909925 | -.00025229 |
| 9 | 5s | 48.676768 | .00005273 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515303 | < R2 > | .315422 | < 1/R > | 2.833548 | < 1/R**2 > | 33.096270 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.433054 | -.00021780 |
| 2 | 1s | 14.570410 | 1.01425998 |
| 3 | 2s | 21.105479 | -.02188153 |
| 4 | 3s | 11.321566 | .01689846 |
| 5 | 4s | 20.115177 | -.00094951 |
| 6 | 5s | 17.687562 | .00342791 |
| 7 | 5s | 62.420480 | -.00003187 |
| 8 | 4s | 12.074451 | -.00660214 |
| 9 | 2s | 54.220574 | .00013078 |
| 10 | 3s | 7.509117 | .00141326 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573888 | < 1/R**2 > | 428.621511 |
Total Energy= -340.38268044 a.u.
Kinetic Energy= 340.38474534 a.u.
Potential Energy= -680.76742578 a.u.
Virial Ratio = -1.99999393