(1s 2 2s 2 2p 2 3d 1 ) 2 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | .325688 | .89062573 |
| 2 | 4d | .426936 | .16064271 |
| 3 | 5d | 3.340047 | .00051093 |
| 4 | 3d | 2.845142 | .00093362 |
| 5 | 5d | .515211 | -.05130498 |
| ORB.ENERGY,a.u. | -.054671 | ||
| NORM | 1.000000 | < R > | 10.712858 | < R2 > | 130.898896 | < 1/R > | .108620 | < 1/R**2 > | .014117 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.749320 | .72805158 |
| 2 | 2p | 3.002495 | .28238767 |
| 3 | 2p | 6.980167 | .01545473 |
| 4 | 3p | 1.083229 | .02424625 |
| 5 | 2p | 5.318733 | .00525671 |
| 6 | 5p | 8.311922 | .00429900 |
| 7 | 5p | 7.948514 | -.00057557 |
| 8 | 5p | 1.201428 | -.00805362 |
| ORB.ENERGY,a.u. | -.890390 | ||
| NORM | 1.000000 | < R > | 1.242951 | < R2 > | 1.929612 | < 1/R > | 1.056341 | < 1/R**2 > | 1.581400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.895088 | .28641927 |
| 2 | 2s | 2.457863 | -.83202413 |
| 3 | 3s | 1.981663 | -.26795341 |
| 4 | 4s | 8.300599 | .02239531 |
| 5 | 3s | 10.118162 | .00728213 |
| 6 | 5s | 2.864702 | -.01502299 |
| 7 | 5s | 16.400519 | .00093035 |
| 8 | 3s | .967838 | -.00054042 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.252962 | < R2 > | 1.874677 | < 1/R > | 1.140739 | < 1/R**2 > | 5.286050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.230096 | .71794134 |
| 2 | 1s | 9.301830 | .22516693 |
| 3 | 1s | 2.644888 | .00479973 |
| 4 | 2s | 6.903354 | .08344779 |
| 5 | 3s | 7.779537 | -.02157737 |
| 6 | 4s | 12.685526 | .00689416 |
| 7 | 5s | 28.106486 | .00016984 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228086 | < R2 > | .070095 | < 1/R > | 6.656709 | < 1/R**2 > | 89.910610 |
Total Energy= -53.94459818 a.u.
Kinetic Energy= 53.94267904 a.u.
Potential Energy= -107.88727722 a.u.
Virial Ratio = -2.00003558