(1s 2 2s 2 2p 1 4d 1 ) 3 F N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | .668253 | 1.08936327 |
| 2 | 4d | .493198 | -1.50675691 |
| 3 | 3d | 2.282104 | .03154010 |
| 4 | 5d | 1.176755 | -.08260461 |
| 5 | 4d | 16.182063 | .00001673 |
| 6 | 5d | .415067 | .02494990 |
| ORB.ENERGY,a.u. | -.130290 | ||
| NORM | 1.000000 | < R > | 9.915630 | < R2 > | 113.371471 | < 1/R > | .137603 | < 1/R**2 > | .033195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.061997 | .82640515 |
| 2 | 2p | 3.484559 | .18094947 |
| 3 | 2p | 7.772094 | .01015508 |
| 4 | 3p | .471382 | -.00130199 |
| 5 | 4p | 1.802656 | .02093190 |
| 6 | 4p | 12.309593 | -.00062823 |
| ORB.ENERGY,a.u. | -1.573900 | ||
| NORM | 1.000000 | < R > | 1.125488 | < R2 > | 1.560399 | < 1/R > | 1.147660 | < 1/R**2 > | 1.832600 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.423362 | .26779920 |
| 2 | 2s | 2.004477 | -.76129492 |
| 3 | 3s | 3.467154 | -.27656196 |
| 4 | 4s | 12.473362 | .00251641 |
| 5 | 5s | 7.072767 | -.02218849 |
| 6 | 5s | 2.244718 | .02867505 |
| 7 | 4s | 20.123295 | .00013882 |
| 8 | 4s | 1.823685 | -.00848665 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.180008 | < R2 > | 1.646550 | < 1/R > | 1.210447 | < 1/R**2 > | 5.921328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.194425 | .00546049 |
| 2 | 1s | 6.254805 | .70970607 |
| 3 | 1s | 9.333374 | .22641557 |
| 4 | 2s | 7.154934 | .08428077 |
| 5 | 3s | 7.835077 | -.01439930 |
| 6 | 4s | 12.811661 | .00574109 |
| 7 | 5s | 24.910262 | .00013163 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227662 | < R2 > | .069765 | < 1/R > | 6.664042 | < 1/R**2 > | 90.059085 |
Total Energy= -52.94446190 a.u.
Kinetic Energy= 52.94608436 a.u.
Potential Energy= -105.89054626 a.u.
Virial Ratio = -1.99996936