(1s 2 2s 2 2p 1 4d 1 ) 3 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 2.918654 | 1.29587467 |
| 2 | 4d | 2.499599 | -1.80770341 |
| 3 | 3d | 6.152613 | .03922421 |
| 4 | 5d | 8.937889 | -.00581356 |
| 5 | 4d | 29.566162 | .00008090 |
| 6 | 5d | 2.067125 | .00550319 |
| 7 | 3d | 42.573357 | .00000894 |
| ORB.ENERGY,a.u. | -3.204500 | ||
| NORM | 1.000001 | < R > | 2.038691 | < R2 > | 4.760709 | < 1/R > | .650313 | < 1/R**2 > | .693561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.138493 | 1.09746037 |
| 2 | 3p | 7.508891 | -.11165283 |
| 3 | 2p | 14.751754 | .01434892 |
| 4 | 5p | 17.062694 | .00236076 |
| 5 | 4p | 30.581141 | -.00045310 |
| 6 | 5p | 4.236081 | .00142618 |
| 7 | 5p | 97.587130 | -.00000682 |
| ORB.ENERGY,a.u. | -16.961000 | ||
| NORM | 1.000000 | < R > | .397152 | < R2 > | .190995 | < 1/R > | 3.183745 | < 1/R**2 > | 13.721310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.945858 | .37269504 |
| 2 | 2s | 5.664598 | -.80828814 |
| 3 | 3s | 8.196543 | -.28189420 |
| 4 | 4s | 28.126388 | .00129837 |
| 5 | 5s | 16.033706 | -.01091071 |
| 6 | 5s | 6.228345 | .01613546 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456898 | < R2 > | .244300 | < 1/R > | 3.209366 | < 1/R**2 > | 41.664646 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165853 | .93089554 |
| 2 | 1s | 21.881731 | .06870279 |
| 3 | 2s | 13.033977 | .01920091 |
| 4 | 3s | 16.057504 | -.01653125 |
| 5 | 4s | 74.190969 | -.00006352 |
| 6 | 5s | 34.553176 | .00079586 |
| 7 | 5s | 9.022130 | .00007131 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648379 | < 1/R**2 > | 432.016163 |
Total Energy= -279.30634827 a.u.
Kinetic Energy= 279.29968488 a.u.
Potential Energy= -558.60603315 a.u.
Virial Ratio = -2.00002386