(1s 2 2s 2 2p 1 3d 1 ) 1 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 3.450901 | 1.09832593 |
| 2 | 3d | 7.218260 | .03259763 |
| 3 | 4d | 3.947467 | -.11812049 |
| 4 | 5d | 21.672792 | -.00034434 |
| 5 | 5d | 3.433380 | -.00488365 |
| ORB.ENERGY,a.u. | -5.830200 | ||
| NORM | 1.000000 | < R > | .981321 | < R2 > | 1.109215 | < 1/R > | 1.201524 | < 1/R**2 > | 1.757416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.124093 | 1.08511684 |
| 2 | 3p | 7.566978 | -.10427098 |
| 3 | 2p | 14.619509 | .01571720 |
| 4 | 5p | 17.796740 | .00341051 |
| 5 | 4p | 34.079191 | -.00015618 |
| 6 | 5p | 5.890118 | .00801610 |
| 7 | 4p | 5.553752 | -.00041984 |
| ORB.ENERGY,a.u. | -16.548000 | ||
| NORM | 1.000000 | < R > | .400219 | < R2 > | .194286 | < 1/R > | 3.164583 | < 1/R**2 > | 13.577945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.968925 | .37057855 |
| 2 | 2s | 5.638138 | -.80639667 |
| 3 | 3s | 8.233405 | -.28043540 |
| 4 | 4s | 28.287557 | .00121096 |
| 5 | 5s | 16.051322 | -.01120992 |
| 6 | 5s | 6.269506 | .01277332 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458394 | < R2 > | .246109 | < 1/R > | 3.199423 | < 1/R**2 > | 41.430106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.168526 | .93123108 |
| 2 | 1s | 21.862317 | .06849245 |
| 3 | 2s | 12.911023 | .01896177 |
| 4 | 3s | 15.972876 | -.01641851 |
| 5 | 4s | 74.145553 | -.00006438 |
| 6 | 5s | 34.476035 | .00079014 |
| 7 | 4s | 7.139517 | .00007073 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102965 | < R2 > | .014202 | < 1/R > | 14.648658 | < 1/R**2 > | 432.030015 |
Total Energy= -281.84550273 a.u.
Kinetic Energy= 281.92556741 a.u.
Potential Energy= -563.77107014 a.u.
Virial Ratio = -1.99971601