(1s 1 5d 1 ) 1 D B 3+
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 | .800354 | 3.53719310 |
| 2 | 4d | .800201 | -8.84445630 |
| 3 | 5d | .799941 | 5.99288732 |
| 4 | 3d | .839111 | .00484548 |
| 5 | 5d | 1.377351 | .00535810 |
| 6 | 4d | 5.128135 | -.00030717 |
| 7 | 3d | 13.949960 | .00000813 |
| ORB.ENERGY,a.u. | -.324090 | ||
| NORM | .999995 | < R > | 8.627593 | < R2 > | 84.421819 | < 1/R > | .159902 | < 1/R**2 > | .051092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905498 | .75819464 |
| 2 | 1s | 5.102245 | .25533776 |
| 3 | 2s | 4.946781 | -.01520716 |
| 4 | 3s | 4.880261 | -.00047141 |
| ORB.ENERGY,a.u. | -12.324000 |
| NORM | 1.000000 | < R > | .299993 | < R2 > | .119993 | < 1/R > | 5.000061 | < 1/R**2 > | 50.000919 |
Total Energy= -12.82172986 a.u.
Kinetic Energy= 12.81991538 a.u.
Potential Energy= -25.64164525 a.u.
Virial Ratio = -2.00014154