(1s 2 2s 2 2p 4 4p 1 ) 2 D Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 8.411894 | .19398621 |
| 2 | 3p | 1.961062 | 2.23256554 |
| 3 | 4p | 3.576484 | -1.71450709 |
| 4 | 5p | 6.361146 | -.16887584 |
| 5 | 3p | 19.137827 | -.00139243 |
| 6 | 5p | 1.751343 | -.25746601 |
| 7 | 4p | 1.365606 | .14453976 |
| 8 | 5p | 75.461124 | .00000755 |
| 9 | 3p | .434421 | -.02542509 |
| 10 | 5p | .580469 | .01939180 |
| ORB.ENERGY,a.u. | -2.895900 | ||
| NORM | 1.000000 | < R > | 2.235700 | < R2 > | 5.652622 | < 1/R > | .630236 | < 1/R**2 > | 1.135597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034699 | 1.14202502 |
| 2 | 3p | 6.803702 | -.21821621 |
| 3 | 2p | 12.883756 | .07300939 |
| 4 | 4p | 15.289080 | .01137281 |
| 5 | 5p | 2.631720 | .00146926 |
| 6 | 5p | 41.988596 | -.00012724 |
| 7 | 4p | 4.561995 | -.00230348 |
| ORB.ENERGY,a.u. | -16.063000 | ||
| NORM | 1.000000 | < R > | .374207 | < R2 > | .171213 | < 1/R > | 3.417482 | < 1/R**2 > | 16.013087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.485394 | .40543304 |
| 2 | 2s | 7.286239 | -.85601288 |
| 3 | 3s | 6.746743 | -.30087014 |
| 4 | 4s | 17.103727 | .00538477 |
| 5 | 3s | 18.975207 | .00977931 |
| 6 | 5s | 36.528720 | .00057604 |
| 7 | 5s | 5.687959 | -.00390800 |
| 8 | 4s | 3.847487 | .00138585 |
| 9 | 2s | 93.171503 | .00000610 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421016 | < R2 > | .208496 | < 1/R > | 3.479606 | < 1/R**2 > | 49.440855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.158603 | .92086493 |
| 2 | 1s | 23.397023 | .07544418 |
| 3 | 2s | 10.473696 | .02018453 |
| 4 | 3s | 12.706673 | -.02019269 |
| 5 | 4s | 15.359750 | .00906721 |
| 6 | 5s | 41.378960 | .00074646 |
| 7 | 4s | 97.065475 | -.00002783 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091038 | < R2 > | .011122 | < 1/R > | 16.589260 | < 1/R**2 > | 554.509343 |
Total Energy= -420.23852948 a.u.
Kinetic Energy= 420.23138444 a.u.
Potential Energy= -840.46991391 a.u.
Virial Ratio = -2.00001700