(1s 2 2s 2 2p 4 3d 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 3.100361 | 1.03046029 |
| 2 | 3d | 8.848913 | .01637691 |
| 3 | 4d | 4.066268 | -.04796488 |
| 4 | 5d | 26.362400 | -.00009587 |
| 5 | 5d | 3.078546 | .01355711 |
| ORB.ENERGY,a.u. | -4.592500 | ||
| NORM | 1.000000 | < R > | 1.129909 | < R2 > | 1.466958 | < 1/R > | 1.041711 | < 1/R**2 > | 1.321921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.039770 | 1.13170880 |
| 2 | 3p | 6.800896 | -.21121149 |
| 3 | 2p | 12.923523 | .07380768 |
| 4 | 4p | 15.127664 | .01535577 |
| 5 | 5p | 17.303255 | -.00138412 |
| 6 | 5p | 4.820884 | -.00101097 |
| 7 | 4p | 68.298235 | .00002290 |
| ORB.ENERGY,a.u. | -15.403000 | ||
| NORM | 1.000000 | < R > | .374127 | < R2 > | .171134 | < 1/R > | 3.418391 | < 1/R**2 > | 16.022242 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.507299 | .40400308 |
| 2 | 2s | 7.286207 | -.85339297 |
| 3 | 3s | 6.763598 | -.29948948 |
| 4 | 4s | 18.055475 | .00773344 |
| 5 | 3s | 21.063700 | .00776286 |
| 6 | 5s | 35.124679 | .00049885 |
| 7 | 5s | 6.360804 | -.00693923 |
| 8 | 2s | 63.959146 | .00002982 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421618 | < R2 > | .209212 | < 1/R > | 3.475484 | < 1/R**2 > | 49.337931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045606 |
| 2 | 1s | 23.358566 | .07584359 |
| 3 | 2s | 10.412968 | .02023239 |
| 4 | 3s | 12.729877 | -.02016529 |
| 5 | 4s | 15.490121 | .00891800 |
| 6 | 5s | 41.323184 | .00081116 |
| 7 | 4s | 103.022006 | -.00002491 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091029 | < R2 > | .011120 | < 1/R > | 16.590396 | < 1/R**2 > | 554.569809 |
Total Energy= -422.04728793 a.u.
Kinetic Energy= 421.93029147 a.u.
Potential Energy= -843.97757940 a.u.
Virial Ratio = -2.00027729