(1s 2 2s 2 2p 2 3d 1 ) 2 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3.768256 | 1.13304933 |
| 2 | 3d | 8.618892 | .02585207 |
| 3 | 4d | 4.545881 | -.12459355 |
| 4 | 5d | 26.145007 | -.00019436 |
| 5 | 5d | 4.098816 | -.02940767 |
| ORB.ENERGY,a.u. | -7.007600 | ||
| NORM | 1.000000 | < R > | .898839 | < R2 > | .930402 | < 1/R > | 1.311974 | < 1/R**2 > | 2.097243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 16.688377 | .01884074 |
| 2 | 4p | 20.222678 | .00664460 |
| 3 | 5p | 28.981395 | -.00151063 |
| 4 | 5p | 3.849300 | .00014993 |
| 5 | 4p | 78.568803 | .00002924 |
| 6 | 2p | 6.704021 | 1.16163231 |
| 7 | 3p | 7.724037 | -.18591457 |
| ORB.ENERGY,a.u. | -20.421000 | ||
| NORM | 1.000000 | < R > | .352884 | < R2 > | .151170 | < 1/R > | 3.592841 | < 1/R**2 > | 17.521708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.324665 | .42978232 |
| 2 | 2s | 7.486753 | -.86801194 |
| 3 | 3s | 7.558012 | -.28652112 |
| 4 | 4s | 28.438017 | .00197412 |
| 5 | 3s | 15.961835 | .01599325 |
| 6 | 5s | 7.409061 | -.02091213 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405392 | < R2 > | .192676 | < 1/R > | 3.622775 | < 1/R**2 > | 53.256227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.061146 | .92144471 |
| 2 | 1s | 24.150850 | .07730065 |
| 3 | 2s | 15.036471 | .01928100 |
| 4 | 3s | 18.606573 | -.01560825 |
| 5 | 5s | 40.544228 | .00084875 |
| 6 | 4s | 97.039561 | -.00003053 |
| 7 | 5s | 12.478677 | .00034092 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090727 | < R2 > | .011030 | < 1/R > | 16.625704 | < 1/R**2 > | 556.403609 |
Total Energy= -388.14682361 a.u.
Kinetic Energy= 388.17008165 a.u.
Potential Energy= -776.31690526 a.u.
Virial Ratio = -1.99994008