(1s 2 2s 2 2p 2 5d 1 ) 4 D Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 2.844866 | 1.55060572 |
| 2 | 4d | 2.412755 | -4.13602131 |
| 3 | 5d | 2.198577 | 3.30491449 |
| 4 | 3d | 8.067960 | .02681112 |
| 5 | 5d | 4.757388 | -.04618524 |
| 6 | 4d | 20.664060 | -.00031905 |
| 7 | 5d | 1.609109 | -.00772735 |
| 8 | 3d | 50.548434 | -.00000229 |
| ORB.ENERGY,a.u. | -2.486200 | ||
| NORM | 1.000002 | < R > | 3.044814 | < R2 > | 10.525019 | < 1/R > | .458163 | < 1/R**2 > | .438859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.793937 | 1.12868669 |
| 2 | 3p | 7.970862 | -.15050306 |
| 3 | 2p | 16.259134 | .01997971 |
| 4 | 4p | 18.456562 | .00552341 |
| 5 | 5p | 29.836971 | -.00048749 |
| 6 | 5p | 6.909932 | -.00213356 |
| 7 | 4p | 75.623441 | .00001962 |
| ORB.ENERGY,a.u. | -21.300000 | ||
| NORM | 1.000000 | < R > | .351573 | < R2 > | .149866 | < 1/R > | 3.602484 | < 1/R**2 > | 17.600721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.333128 | .43070435 |
| 2 | 2s | 7.486398 | -.86861847 |
| 3 | 3s | 7.634209 | -.28600082 |
| 4 | 4s | 28.702031 | .00198708 |
| 5 | 3s | 15.727445 | .01682668 |
| 6 | 5s | 7.752143 | -.01978946 |
| 7 | 5s | 5.817691 | -.00045681 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .404040 | < R2 > | .191233 | < 1/R > | 3.634311 | < 1/R**2 > | 53.564840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060950 | .92144563 |
| 2 | 1s | 24.150551 | .07730263 |
| 3 | 2s | 15.030801 | .01928313 |
| 4 | 3s | 18.604523 | -.01560957 |
| 5 | 5s | 40.475301 | .00084971 |
| 6 | 4s | 97.235239 | -.00003113 |
| 7 | 5s | 12.596201 | .00032729 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625484 | < 1/R**2 > | 556.390971 |
Total Energy= -383.64283846 a.u.
Kinetic Energy= 383.64866968 a.u.
Potential Energy= -767.29150815 a.u.
Virial Ratio = -1.99998480