(1s 2 2s 2 4d 1 ) 2 D F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.492768 | 1.21797266 |
| 2 | 4d | 1.247680 | -1.72847636 |
| 3 | 3d | 3.363505 | .04372332 |
| 4 | 5d | 4.775907 | -.00576647 |
| 5 | 4d | 21.816710 | .00005323 |
| 6 | 5d | .968024 | .00549233 |
| ORB.ENERGY,a.u. | -.803660 | ||
| NORM | 1.000001 | < R > | 4.055432 | < R2 > | 18.855363 | < 1/R > | .328321 | < 1/R**2 > | .178624 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.756461 | .34217470 |
| 2 | 2s | 3.379207 | -.75994213 |
| 3 | 3s | 4.624784 | -.29314798 |
| 4 | 4s | 14.235045 | .00380053 |
| 5 | 5s | 4.267269 | -.04771534 |
| 6 | 3s | 9.160555 | .01678795 |
| ORB.ENERGY,a.u. | -5.315200 | ||
| NORM | 1.000000 | < R > | .810323 | < R2 > | .768800 | < 1/R > | 1.785478 | < 1/R**2 > | 12.853049 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044180 | .85041169 |
| 2 | 1s | 12.510153 | .14832136 |
| 3 | 2s | 10.701507 | .02065961 |
| 4 | 3s | 10.303210 | -.01516162 |
| 5 | 4s | 17.362251 | .00403275 |
| 6 | 5s | 10.364812 | -.00373685 |
| ORB.ENERGY,a.u. | -31.558000 |
| NORM | 1.000000 | < R > | .174309 | < R2 > | .040766 | < 1/R > | 8.673769 | < 1/R**2 > | 151.989596 |
Total Energy= -88.73987389 a.u.
Kinetic Energy= 88.73769993 a.u.
Potential Energy= -177.47757382 a.u.
Virial Ratio = -2.00002450