(1s 2 2s 2 2p 3 4d 1 ) 5 D P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 2.355382 | 1.19415044 |
| 2 | 4d | 2.040714 | -1.76762170 |
| 3 | 3d | 6.416793 | .04921461 |
| 4 | 4d | 4.685992 | .05372442 |
| 5 | 5d | 21.746463 | -.00016758 |
| ORB.ENERGY,a.u. | -2.096200 | ||
| NORM | 1.000000 | < R > | 2.479573 | < R2 > | 7.057027 | < 1/R > | .540760 | < 1/R**2 > | .494226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.730287 | 1.33980792 |
| 2 | 3p | 7.302330 | -.42506284 |
| 3 | 4p | 8.969459 | .08158969 |
| 4 | 5p | 26.450440 | -.00218966 |
| 5 | 4p | 3.565324 | .00731019 |
| 6 | 4p | 34.868338 | -.00099348 |
| 7 | 5p | 3.604386 | -.00444306 |
| 8 | 3p | 8.564410 | -.00020866 |
| 9 | 3p | 50.361744 | -.00007469 |
| ORB.ENERGY,a.u. | -13.157000 | ||
| NORM | 1.000000 | < R > | .423684 | < R2 > | .218965 | < 1/R > | 3.010749 | < 1/R**2 > | 12.397087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.938753 | .40067795 |
| 2 | 2s | 6.370524 | -.85627934 |
| 3 | 3s | 6.084529 | -.28749721 |
| 4 | 4s | 25.045543 | .00193591 |
| 5 | 3s | 14.250529 | .01603991 |
| 6 | 5s | 6.233605 | -.01380070 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478517 | < R2 > | .269157 | < 1/R > | 3.055765 | < 1/R**2 > | 38.059039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.175304 | .93173580 |
| 2 | 1s | 21.907564 | .06641903 |
| 3 | 2s | 12.645558 | .01835419 |
| 4 | 3s | 17.867923 | -.01483672 |
| 5 | 4s | 27.570429 | .00302280 |
| 6 | 5s | 53.500326 | .00008826 |
| 7 | 5s | 10.492610 | .00057108 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103375 | < R2 > | .014340 | < 1/R > | 14.611384 | < 1/R**2 > | 430.323590 |
Total Energy= -307.46836757 a.u.
Kinetic Energy= 307.48706631 a.u.
Potential Energy= -614.95543388 a.u.
Virial Ratio = -1.99993919