(1s 2 2s 2 2p 5 4d 1 ) 1 D P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.746022 | 1.26653037 |
| 2 | 4d | 1.518037 | -1.80752615 |
| 3 | 3d | 5.717533 | .04146549 |
| 4 | 4d | 3.892991 | .04186712 |
| 5 | 5d | 8.885226 | -.00197080 |
| 6 | 4d | 36.192840 | .00001799 |
| ORB.ENERGY,a.u. | -1.164900 | ||
| NORM | 1.000001 | < R > | 3.338032 | < R2 > | 12.821066 | < 1/R > | .404975 | < 1/R**2 > | .281257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.849350 | 1.22879414 |
| 2 | 3p | 5.715905 | -.30825301 |
| 3 | 2p | 11.285075 | .07635439 |
| 4 | 4p | 13.553478 | .01370391 |
| 5 | 5p | 4.371964 | .00072948 |
| 6 | 3p | 41.363633 | .00003703 |
| 7 | 4p | 1.318504 | -.00012505 |
| ORB.ENERGY,a.u. | -9.176700 | ||
| NORM | 1.000000 | < R > | .459490 | < R2 > | .260845 | < 1/R > | 2.816958 | < 1/R**2 > | 11.026611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.140170 | .37215573 |
| 2 | 2s | 6.145987 | -.83389989 |
| 3 | 3s | 5.432252 | -.30255128 |
| 4 | 4s | 18.473729 | .00418493 |
| 5 | 3s | 17.394956 | .00672695 |
| 6 | 5s | 36.390755 | .00042719 |
| 7 | 5s | 5.045268 | -.00346893 |
| 8 | 4s | 2.685973 | .00018671 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501510 | < R2 > | .297353 | < 1/R > | 2.910798 | < 1/R**2 > | 34.780285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92330174 |
| 2 | 1s | 20.989774 | .07299047 |
| 3 | 2s | 8.545664 | .02100422 |
| 4 | 3s | 10.658652 | -.02130120 |
| 5 | 4s | 13.405822 | .01067389 |
| 6 | 5s | 35.737140 | .00080038 |
| 7 | 4s | 81.324262 | -.00003964 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585310 | < 1/R**2 > | 429.141078 |
Total Energy= -327.49066972 a.u.
Kinetic Energy= 327.48120366 a.u.
Potential Energy= -654.97187339 a.u.
Virial Ratio = -2.00002891