(1s 2 2s 2 2p 4 5d 1 ) 2 D P 6+
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 | 1.813960 | 1.47818999 |
| 2 | 4d | 1.415562 | -5.48869664 |
| 3 | 5d | 1.401745 | 4.79387048 |
| 4 | 3d | 4.852015 | .03230553 |
| 5 | 5d | 7.305836 | -.01028804 |
| 6 | 4d | 14.850330 | .00059504 |
| 7 | 5d | 1.144155 | -.02615367 |
| 8 | 3d | 20.579877 | .00011329 |
| ORB.ENERGY,a.u. | -.995090 | ||
| NORM | 1.000001 | < R > | 4.839557 | < R2 > | 26.617304 | < 1/R > | .289252 | < 1/R**2 > | .175008 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.144467 | 1.17434297 |
| 2 | 3p | 5.961147 | -.24317323 |
| 3 | 2p | 11.762608 | .06391135 |
| 4 | 4p | 14.193018 | .01524480 |
| 5 | 5p | 2.797090 | .00018080 |
| 6 | 5p | 19.884270 | -.00125089 |
| 7 | 4p | 58.263356 | .00003722 |
| ORB.ENERGY,a.u. | -10.968000 | ||
| NORM | 1.000000 | < R > | .440779 | < R2 > | .238410 | < 1/R > | 2.914022 | < 1/R**2 > | 11.702448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.009903 | .38777094 |
| 2 | 2s | 6.245066 | -.85746155 |
| 3 | 3s | 5.523107 | -.30486281 |
| 4 | 4s | 17.045273 | .00887360 |
| 5 | 3s | 20.602512 | .00513333 |
| 6 | 5s | 29.294703 | .00085862 |
| 7 | 5s | 6.392004 | .01641894 |
| 8 | 4s | 3.907413 | .00049999 |
| 9 | 3s | 43.203640 | -.00012446 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489503 | < R2 > | .282373 | < 1/R > | 2.984088 | < 1/R**2 > | 36.421518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279521 |
| 2 | 1s | 20.928410 | .07367493 |
| 3 | 2s | 8.782242 | .02035933 |
| 4 | 3s | 10.787703 | -.02029971 |
| 5 | 4s | 13.364085 | .00939395 |
| 6 | 5s | 35.954370 | .00085777 |
| 7 | 4s | 85.215878 | -.00003503 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014395 | < 1/R > | 14.597086 | < 1/R**2 > | 429.673583 |
Total Energy= -317.70131690 a.u.
Kinetic Energy= 317.68291204 a.u.
Potential Energy= -635.38422894 a.u.
Virial Ratio = -2.00005793