(1s 2 2s 2 2p 1 4d 1 ) 1 F F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.065799 | 1.71755111 |
| 2 | 4d | .996533 | -2.20819059 |
| 3 | 3d | 4.353917 | .01003841 |
| 4 | 5d | 2.028933 | -.00683295 |
| 5 | 4d | 9.080860 | -.00030242 |
| ORB.ENERGY,a.u. | -.500600 | ||
| NORM | .999998 | < R > | 5.224572 | < R2 > | 31.273869 | < 1/R > | .253592 | < 1/R**2 > | .105052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.032962 | .82815148 |
| 2 | 2p | 4.601957 | .20906055 |
| 3 | 2p | 10.868135 | .00618318 |
| 4 | 3p | 5.477834 | -.02325410 |
| 5 | 4p | 1.128001 | .00153057 |
| 6 | 4p | 15.193093 | -.00075334 |
| ORB.ENERGY,a.u. | -3.890000 | ||
| NORM | 1.000000 | < R > | .763776 | < R2 > | .711542 | < 1/R > | 1.671322 | < 1/R**2 > | 3.830283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.047763 | .30976351 |
| 2 | 2s | 2.934930 | -.78688019 |
| 3 | 3s | 4.688117 | -.27307894 |
| 4 | 4s | 12.527381 | .00533894 |
| 5 | 5s | 9.888574 | -.01100766 |
| 6 | 5s | 2.973612 | .01845385 |
| 7 | 4s | 20.527456 | .00099059 |
| 8 | 4s | 2.113879 | -.00722806 |
| 9 | 5s | 61.226603 | .00001697 |
| 10 | 2s | 1.140092 | .00221382 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844197 | < R2 > | .838009 | < 1/R > | 1.709987 | < 1/R**2 > | 11.849152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.339981 | .00124183 |
| 2 | 1s | 8.053082 | .85110875 |
| 3 | 1s | 12.612689 | .14432698 |
| 4 | 2s | 11.020495 | .02092262 |
| 5 | 3s | 9.808620 | -.01582114 |
| 6 | 4s | 15.753967 | .00477920 |
| 7 | 5s | 28.699630 | .00028180 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174828 | < R2 > | .041064 | < 1/R > | 8.657547 | < 1/R**2 > | 151.552657 |
Total Energy= -92.64386996 a.u.
Kinetic Energy= 92.62736382 a.u.
Potential Energy= -185.27123378 a.u.
Virial Ratio = -2.00017820