(1s 2 2s 2 4d 1 ) 2 D P 10+
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 | 2.896216 | 1.70423349 |
| 2 | 4d | 2.782501 | -2.26814032 |
| 3 | 3d | 7.401665 | .02815821 |
| 4 | 4d | 5.500653 | .03477317 |
| 5 | 5d | 23.346495 | -.00025841 |
| 6 | 5d | 1.816211 | -.00043282 |
| ORB.ENERGY,a.u. | -3.854700 | ||
| NORM | .999999 | < R > | 1.866520 | < R2 > | 3.987126 | < 1/R > | .708193 | < 1/R**2 > | .817670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.648345 | .39527442 |
| 2 | 2s | 6.054016 | -.80213581 |
| 3 | 3s | 7.925369 | -.29210291 |
| 4 | 5s | 15.003696 | -.01646417 |
| 5 | 4s | 30.033194 | .00206924 |
| 6 | 5s | 6.379451 | .00517632 |
| 7 | 5s | 44.944246 | -.00028464 |
| ORB.ENERGY,a.u. | -19.721000 | ||
| NORM | 1.000000 | < R > | .446785 | < R2 > | .233181 | < 1/R > | 3.287377 | < 1/R**2 > | 43.542195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.187693 | .93930206 |
| 2 | 1s | 22.862876 | .05987513 |
| 3 | 2s | 15.396976 | .01962267 |
| 4 | 3s | 17.634346 | -.01651493 |
| 5 | 5s | 34.823245 | .00102438 |
| 6 | 4s | 81.938705 | -.00004448 |
| 7 | 5s | 18.216724 | -.00115030 |
| ORB.ENERGY,a.u. | -97.245000 |
| NORM | 1.000000 | < R > | .102726 | < R2 > | .014123 | < 1/R > | 14.670785 | < 1/R**2 > | 433.047773 |
Total Energy= -262.35879821 a.u.
Kinetic Energy= 262.35407140 a.u.
Potential Energy= -524.71286961 a.u.
Virial Ratio = -2.00001802