(1s 2 2s 2 2p 2 5d 1 ) 2 D N 0
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 | .216927 | 2.68738045 |
| 2 | 4d | .198286 | -7.65196353 |
| 3 | 5d | .197588 | 5.96042237 |
| 4 | 3d | 2.764742 | .00065568 |
| 5 | 4d | .166758 | -.22495137 |
| 6 | 5d | .703763 | -.01373845 |
| 7 | 4d | 5.882130 | -.00003899 |
| 8 | 4d | 1.072655 | -.00611841 |
| ORB.ENERGY,a.u. | -.019813 | ||
| NORM | .999973 | < R > | 34.846543 | < R2 > | 1376.901082 | < 1/R > | .039495 | < 1/R**2 > | .003092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.751096 | .72634225 |
| 2 | 2p | 2.997000 | .28183248 |
| 3 | 2p | 6.887610 | .01582090 |
| 4 | 3p | 1.123327 | .02552256 |
| 5 | 2p | 5.774801 | .00485260 |
| 6 | 5p | 8.126515 | .00443457 |
| 7 | 5p | 12.145824 | .00018066 |
| 8 | 5p | 1.233051 | -.00723673 |
| ORB.ENERGY,a.u. | -1.008400 | ||
| NORM | 1.000000 | < R > | 1.243449 | < R2 > | 1.931515 | < 1/R > | 1.056063 | < 1/R**2 > | 1.580729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.896940 | .28630475 |
| 2 | 2s | 2.454928 | -.83281456 |
| 3 | 3s | 1.975860 | -.26800476 |
| 4 | 4s | 8.375542 | .02227969 |
| 5 | 3s | 10.201109 | .00695756 |
| 6 | 5s | 2.921580 | -.01368959 |
| 7 | 5s | 16.765512 | .00083613 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252846 | < R2 > | 1.874249 | < 1/R > | 1.140826 | < 1/R**2 > | 5.286785 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230028 | .71793436 |
| 2 | 1s | 9.301780 | .22517153 |
| 3 | 1s | 2.652055 | .00483486 |
| 4 | 2s | 6.903648 | .08341609 |
| 5 | 3s | 7.776611 | -.02158278 |
| 6 | 4s | 12.680636 | .00688957 |
| 7 | 5s | 28.042017 | .00017129 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228085 | < R2 > | .070094 | < 1/R > | 6.656720 | < 1/R**2 > | 89.910822 |
Total Energy= -53.90833890 a.u.
Kinetic Energy= 53.90781905 a.u.
Potential Energy= -107.81615795 a.u.
Virial Ratio = -2.00000964