(1s 2 2s 2 2p 4 4d 1 ) 4 D S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 2.423413 | 1.12678390 |
| 2 | 4d | 2.045456 | -1.69189221 |
| 3 | 5d | 21.915890 | -.00016246 |
| 4 | 3d | 6.851527 | .04578745 |
| 5 | 4d | 5.048928 | .05309057 |
| ORB.ENERGY,a.u. | -2.111400 | ||
| NORM | 1.000000 | < R > | 2.459428 | < R2 > | 6.946546 | < 1/R > | .546544 | < 1/R**2 > | .508093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.570917 | 1.14698651 |
| 2 | 3p | 6.350234 | -.22519035 |
| 3 | 2p | 12.091464 | .07447063 |
| 4 | 4p | 14.278322 | .01277772 |
| 5 | 5p | 38.711708 | -.00013089 |
| 6 | 5p | 3.917472 | -.00061491 |
| ORB.ENERGY,a.u. | -13.331000 | ||
| NORM | 1.000000 | < R > | .405255 | < R2 > | .201182 | < 1/R > | 3.162973 | < 1/R**2 > | 13.753508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.765627 | .39618081 |
| 2 | 2s | 6.771699 | -.85132926 |
| 3 | 3s | 6.203743 | -.29967633 |
| 4 | 4s | 17.756166 | .00730939 |
| 5 | 3s | 19.712467 | .00692198 |
| 6 | 5s | 35.052865 | .00057971 |
| 7 | 5s | 5.109047 | -.00267371 |
| 8 | 4s | 3.542838 | .00090237 |
| 9 | 2s | 90.804272 | .00000521 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452778 | < R2 > | .241367 | < 1/R > | 3.231179 | < 1/R**2 > | 42.668260 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164961 | .91811961 |
| 2 | 1s | 22.010953 | .07851688 |
| 3 | 2s | 9.678407 | .01986367 |
| 4 | 3s | 11.857565 | -.01989534 |
| 5 | 4s | 14.424580 | .00893362 |
| 6 | 5s | 38.943490 | .00083328 |
| 7 | 4s | 94.697998 | -.00002731 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096881 | < R2 > | .012599 | < 1/R > | 15.593717 | < 1/R**2 > | 490.131203 |
Total Energy= -367.34495555 a.u.
Kinetic Energy= 367.37337077 a.u.
Potential Energy= -734.71832633 a.u.
Virial Ratio = -1.99992265