(1s 2 2s 2 2p 4 4d 1 ) 4 F S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 2.368702 | 1.19963042 |
| 2 | 4d | 2.033669 | -1.75425560 |
| 3 | 3d | 6.920214 | .04214935 |
| 4 | 4d | 5.020603 | .04661758 |
| 5 | 5d | 22.980030 | -.00012321 |
| ORB.ENERGY,a.u. | -2.089100 | ||
| NORM | 1.000000 | < R > | 2.485833 | < R2 > | 7.098423 | < 1/R > | .540783 | < 1/R**2 > | .496359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.571732 | 1.14730150 |
| 2 | 3p | 6.350837 | -.22555009 |
| 3 | 2p | 12.091065 | .07443344 |
| 4 | 4p | 14.262792 | .01279739 |
| 5 | 5p | 38.874150 | -.00013039 |
| 6 | 5p | 3.860096 | -.00058508 |
| ORB.ENERGY,a.u. | -13.308000 | ||
| NORM | 1.000000 | < R > | .405174 | < R2 > | .201101 | < 1/R > | 3.163545 | < 1/R**2 > | 13.758058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766142 | .39616475 |
| 2 | 2s | 6.771445 | -.85127883 |
| 3 | 3s | 6.205196 | -.29963354 |
| 4 | 4s | 17.755065 | .00729929 |
| 5 | 3s | 19.706539 | .00692300 |
| 6 | 5s | 35.058141 | .00058010 |
| 7 | 5s | 5.121470 | -.00277599 |
| 8 | 4s | 3.558508 | .00093467 |
| 9 | 2s | 91.055777 | .00000516 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452771 | < R2 > | .241359 | < 1/R > | 3.231238 | < 1/R**2 > | 42.669842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164961 | .91811844 |
| 2 | 1s | 22.010684 | .07851774 |
| 3 | 2s | 9.676912 | .01986728 |
| 4 | 3s | 11.856531 | -.01989701 |
| 5 | 4s | 14.425210 | .00893342 |
| 6 | 5s | 38.929746 | .00083276 |
| 7 | 4s | 94.678146 | -.00002760 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096881 | < R2 > | .012600 | < 1/R > | 15.593685 | < 1/R**2 > | 490.129567 |
Total Energy= -367.34550080 a.u.
Kinetic Energy= 367.35102599 a.u.
Potential Energy= -734.69652679 a.u.
Virial Ratio = -1.99998496