(1s 2 2s 1 5d 1 ) 1 D S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 2.597590 | 3.53248868 |
| 2 | 4d | 2.602140 | -8.84123245 |
| 3 | 5d | 2.604432 | 5.98901892 |
| 4 | 3d | 10.745358 | .00524643 |
| 5 | 5d | 2.300807 | .00819594 |
| 6 | 5d | 29.494020 | -.00022402 |
| 7 | 4d | 6.357169 | .00519975 |
| 8 | 4d | 51.286588 | -.00002053 |
| ORB.ENERGY,a.u. | -3.387800 | ||
| NORM | 1.000002 | < R > | 2.645946 | < R2 > | 7.947322 | < 1/R > | .524045 | < 1/R**2 > | .555692 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.051418 | .43095581 |
| 2 | 2s | 6.952477 | -.81283998 |
| 3 | 3s | 8.321049 | -.30362261 |
| 4 | 5s | 14.258982 | -.02104444 |
| 5 | 4s | 28.203488 | .00553942 |
| 6 | 5s | 37.399087 | -.00134499 |
| 7 | 4s | 95.615198 | .00001834 |
| ORB.ENERGY,a.u. | -25.443000 | ||
| NORM | 1.000000 | < R > | .407447 | < R2 > | .193630 | < 1/R > | 3.624592 | < 1/R**2 > | 52.932798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409608 | .93901418 |
| 2 | 1s | 24.368520 | .04838382 |
| 3 | 2s | 18.866223 | .01675127 |
| 4 | 3s | 11.486402 | .00153272 |
| 5 | 4s | 64.366043 | -.00043466 |
| 6 | 5s | 85.997217 | .00015877 |
| 7 | 5s | 7.924844 | .00010344 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096122 | < R2 > | .012364 | < 1/R > | 15.674632 | < 1/R**2 > | 494.138758 |
Total Energy= -275.45734966 a.u.
Kinetic Energy= 275.37883347 a.u.
Potential Energy= -550.83618313 a.u.
Virial Ratio = -2.00028512