(1s 2 2s 2 5d 1 ) 2 D N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .779915 | 1.43260292 |
| 2 | 4d | .656570 | -3.98608627 |
| 3 | 5d | .595359 | 3.31501403 |
| 4 | 3d | 2.444650 | .02974819 |
| 5 | 4d | .465183 | -.09964185 |
| 6 | 5d | 2.093746 | .01815310 |
| 7 | 4d | 18.874101 | .00001674 |
| ORB.ENERGY,a.u. | -.184510 | ||
| NORM | .999996 | < R > | 11.172510 | < R2 > | 141.900586 | < 1/R > | .125761 | < 1/R**2 > | .033574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.881832 | .32532727 |
| 2 | 2s | 2.626508 | -.84152835 |
| 3 | 3s | 2.828941 | -.24046072 |
| 4 | 4s | 7.693250 | .02351041 |
| 5 | 3s | 8.957022 | .02010759 |
| 6 | 5s | 2.758851 | -.03786522 |
| 7 | 5s | 22.330991 | -.00016149 |
| 8 | 2s | 23.323712 | .00016462 |
| ORB.ENERGY,a.u. | -2.614800 | ||
| NORM | 1.000000 | < R > | 1.113207 | < R2 > | 1.454402 | < 1/R > | 1.285299 | < 1/R**2 > | 6.642460 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.247806 | .70852997 |
| 2 | 1s | 9.285023 | .23152837 |
| 3 | 2s | 7.149431 | .08397324 |
| 4 | 3s | 7.842325 | -.01504532 |
| 5 | 4s | 13.130230 | .00906087 |
| 6 | 5s | 17.067427 | -.00168291 |
| 7 | 3s | 42.520228 | .00001457 |
| ORB.ENERGY,a.u. | -17.804000 |
| NORM | 1.000000 | < R > | .227007 | < R2 > | .069266 | < 1/R > | 6.675773 | < 1/R**2 > | 90.299648 |
Total Energy= -51.26763567 a.u.
Kinetic Energy= 51.26683286 a.u.
Potential Energy= -102.53446854 a.u.
Virial Ratio = -2.00001566