(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 D P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5.079294 | .00400301 |
| 2 | 3d | .361707 | .56462270 |
| 3 | 4d | .227192 | -2.73668426 |
| 4 | 5d | .210738 | 2.80536951 |
| 5 | 3d | .985364 | .31215545 |
| 6 | 4d | 1.223363 | -.17794326 |
| 7 | 5d | 4.168238 | .00513992 |
| ORB.ENERGY,a.u. | -.149080 | ||
| NORM | 1.000000 | < R > | 30.327517 | < R2 > | 1062.489617 | < 1/R > | .053439 | < 1/R**2 > | .009253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.102109 | .26389522 |
| 2 | 2p | 1.076061 | -.87908331 |
| 3 | 3p | 1.987878 | -.29040248 |
| 4 | 2p | 8.137232 | .08479610 |
| 5 | 4p | 1.215121 | .12042350 |
| 6 | 3p | 12.516471 | -.00429532 |
| 7 | 4p | 30.384432 | -.00012617 |
| 8 | 5p | .401212 | .00038560 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.136813 | < R2 > | 5.326209 | < 1/R > | .617336 | < 1/R**2 > | .840251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.354271 | -.17717255 |
| 2 | 1s | 10.702583 | .17025644 |
| 3 | 1s | 41.188306 | .00023282 |
| 4 | 2s | 4.746038 | -.24273971 |
| 5 | 3s | 1.912922 | .83912292 |
| 6 | 4s | 3.413745 | .19467030 |
| 7 | 3s | 29.334915 | -.00057833 |
| 8 | 5s | 1.719645 | .06504260 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.849017 | < R2 > | 3.940747 | < 1/R > | .724664 | < 1/R**2 > | 2.966930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372425 | .42813423 |
| 2 | 3p | 6.500507 | .49497879 |
| 3 | 2p | 20.148760 | .00249403 |
| 4 | 4p | 5.240417 | .18068530 |
| 5 | 5p | 4.034535 | .01286015 |
| 6 | 3p | 38.411992 | .00006545 |
| 7 | 4p | 81.130332 | -.00000234 |
| 8 | 3p | 1.597482 | .00090808 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483342 | < R2 > | .291748 | < 1/R > | 2.706664 | < 1/R**2 > | 10.286856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194653 | .35988282 |
| 2 | 2s | 5.437925 | -.77666629 |
| 3 | 3s | 4.857018 | -.17146121 |
| 4 | 4s | 23.639907 | .00226739 |
| 5 | 2s | 6.760171 | -.17609751 |
| 6 | 3s | 15.376311 | .00817157 |
| 7 | 5s | 4.030346 | -.00308708 |
| 8 | 4s | 1.913907 | -.00025123 |
| 9 | 5s | 48.437425 | .00005347 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515308 | < R2 > | .315429 | < 1/R > | 2.833520 | < 1/R**2 > | 33.095673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.422945 | -.00021681 |
| 2 | 1s | 14.570410 | 1.01425946 |
| 3 | 2s | 21.105443 | -.02188146 |
| 4 | 3s | 11.321562 | .01689844 |
| 5 | 4s | 20.113416 | -.00094957 |
| 6 | 5s | 17.687015 | .00342806 |
| 7 | 5s | 62.443386 | -.00003186 |
| 8 | 4s | 12.074520 | -.00660211 |
| 9 | 2s | 54.221277 | .00013075 |
| 10 | 3s | 7.509302 | .00141316 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573880 | < 1/R**2 > | 428.621121 |
Total Energy= -340.37084767 a.u.
Kinetic Energy= 340.37188354 a.u.
Potential Energy= -680.74273121 a.u.
Virial Ratio = -1.99999696