(1s 2 2s 2 2p 2 4d 1 ) 2 D Cl 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 | 3.045748 | 1.49623847 |
| 2 | 4d | 2.735206 | -2.00153249 |
| 3 | 3d | 7.398106 | .03020273 |
| 4 | 5d | 57.010570 | .00000176 |
| 5 | 5d | 10.334506 | -.00858156 |
| 6 | 5d | 2.409236 | .00620828 |
| 7 | 3d | 23.197431 | .00009319 |
| ORB.ENERGY,a.u. | -3.814200 | ||
| NORM | 1.000000 | < R > | 1.883504 | < R2 > | 4.066148 | < 1/R > | .704669 | < 1/R**2 > | .813696 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.766117 | 1.10295248 |
| 2 | 3p | 7.744663 | -.13598671 |
| 3 | 2p | 15.056463 | .02943823 |
| 4 | 4p | 16.562620 | .00709037 |
| 5 | 5p | 38.222941 | -.00020772 |
| 6 | 5p | 3.398453 | .00027618 |
| ORB.ENERGY,a.u. | -20.937000 | ||
| NORM | 1.000000 | < R > | .351439 | < R2 > | .149798 | < 1/R > | 3.604394 | < 1/R**2 > | 17.619644 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.323969 | .43086257 |
| 2 | 2s | 7.491291 | -.86879375 |
| 3 | 3s | 7.616359 | -.28627404 |
| 4 | 4s | 28.661049 | .00198679 |
| 5 | 3s | 15.725300 | .01695786 |
| 6 | 5s | 7.689490 | -.02055770 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404312 | < R2 > | .191514 | < 1/R > | 3.631874 | < 1/R**2 > | 53.498851 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144366 |
| 2 | 1s | 24.149966 | .07730433 |
| 3 | 2s | 15.025970 | .01928640 |
| 4 | 3s | 18.604395 | -.01560965 |
| 5 | 5s | 40.475559 | .00085001 |
| 6 | 4s | 97.247329 | -.00003110 |
| 7 | 5s | 12.568893 | .00032829 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090729 | < R2 > | .011031 | < 1/R > | 16.625409 | < 1/R**2 > | 556.387206 |
Total Energy= -385.05683362 a.u.
Kinetic Energy= 384.97637720 a.u.
Potential Energy= -770.03321082 a.u.
Virial Ratio = -2.00020899