(1s 2 2s 2 2p 6 3s 2 3p 2 ) 1 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 3p | 7.454146 | -.15885555 |
| 2 | 4p | 1.874031 | .20692749 |
| 3 | 2p | 5.519662 | .58355292 |
| 4 | 2p | 1.494855 | -1.02397412 |
| 5 | 3p | 2.512396 | -.29808079 |
| 6 | 2p | 14.899115 | .00584760 |
| 7 | 4p | 1.556230 | .05905733 |
| 8 | 4p | 32.621006 | -.00028171 |
| 9 | 3p | 54.645189 | -.00001493 |
| 10 | 5p | .972630 | -.00022734 |
| ORB.ENERGY,a.u. | -1.854400 | ||
| NORM | 1.000000 | < R > | 1.533689 | < R2 > | 2.719308 | < 1/R > | .872248 | < 1/R**2 > | 1.678894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.238123 | -.46089665 |
| 2 | 1s | 12.753215 | .17543416 |
| 3 | 2s | 6.143047 | -.20942510 |
| 4 | 3s | 2.690684 | 1.08993509 |
| 5 | 4s | 4.661997 | .18246676 |
| 6 | 3s | 18.549702 | .00369922 |
| 7 | 5s | 2.518450 | .06937429 |
| 8 | 4s | 55.972772 | -.00005707 |
| 9 | 2s | 2.116960 | .01935343 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.411051 | < R2 > | 2.272823 | < 1/R > | .964332 | < 1/R**2 > | 5.433792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.798444 | .42958514 |
| 2 | 3p | 7.643660 | .51270211 |
| 3 | 5p | 4.426018 | .00651836 |
| 4 | 4p | 6.158628 | .15904517 |
| 5 | 2p | 24.667045 | .00148776 |
| 6 | 5p | 31.573515 | -.00015709 |
| 7 | 3p | 46.394707 | .00003934 |
| 8 | 3p | 1.798509 | .00056549 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404878 | < R2 > | .203326 | < 1/R > | 3.206410 | < 1/R**2 > | 14.315182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.737605 | .37662245 |
| 2 | 2s | 6.940810 | -.76918170 |
| 3 | 3s | 6.369126 | -.16257946 |
| 4 | 4s | 28.076444 | .00189340 |
| 5 | 2s | 4.944082 | -.19771454 |
| 6 | 3s | 17.149425 | .00702494 |
| 7 | 4s | 3.313083 | -.00086639 |
| 8 | 5s | 62.126137 | .00001649 |
| 9 | 5s | 1.605484 | -.00001280 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440524 | < R2 > | .229769 | < 1/R > | 3.322734 | < 1/R**2 > | 45.414592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578457 | 1.01108069 |
| 2 | 2s | 20.671033 | -.01844534 |
| 3 | 3s | 15.067555 | .01706376 |
| 4 | 4s | 61.758422 | -.00039127 |
| 5 | 4s | 8.116438 | .00130406 |
| 6 | 5s | 79.566059 | .00011202 |
| 7 | 5s | 8.252935 | -.00057628 |
| 8 | 2s | 28.497030 | -.00340440 |
| 9 | 2s | 162.183521 | .00000235 |
| 10 | 3s | 1.693006 | -.00000690 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561305 | < 1/R**2 > | 553.062376 |
Total Energy= -456.78849906 a.u.
Kinetic Energy= 456.71600361 a.u.
Potential Energy= -913.50450268 a.u.
Virial Ratio = -2.00015873