(1s 2 2s 2 2p 3 5s 1 ) 3 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 13.281163 | .07880591 |
| 2 | 2s | 4.508956 | -.56896407 |
| 3 | 3s | 2.692753 | 3.07812540 |
| 4 | 4s | 2.354108 | -5.93575467 |
| 5 | 5s | 2.131577 | 3.93011888 |
| 6 | 5s | 18.404756 | -.00202861 |
| 7 | 4s | 33.675875 | .00018272 |
| ORB.ENERGY,a.u. | -2.282200 | ||
| NORM | .999998 | < R > | 3.298839 | < R2 > | 12.178570 | < 1/R > | .435625 | < 1/R**2 > | 1.839503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.781913 | 1.26488192 |
| 2 | 3p | 8.854064 | -.34665580 |
| 3 | 4p | 11.178783 | .07504327 |
| 4 | 5p | 21.988313 | .00348638 |
| 5 | 4p | 4.532252 | .00435209 |
| 6 | 5p | 21.942281 | -.00008601 |
| 7 | 5p | 4.239689 | -.00129719 |
| ORB.ENERGY,a.u. | -19.098000 | ||
| NORM | 1.000000 | < R > | .361412 | < R2 > | .158886 | < 1/R > | 3.517623 | < 1/R**2 > | 16.854128 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.463403 | .37355785 |
| 2 | 2s | 6.571333 | -.80493263 |
| 3 | 3s | 9.361869 | -.25433444 |
| 4 | 4s | 27.620270 | .00295307 |
| 5 | 5s | 8.695445 | -.04546964 |
| 6 | 4s | 2.019882 | .02422242 |
| 7 | 5s | 2.700450 | -.02415169 |
| 8 | 2s | 40.646265 | -.00011708 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .411931 | < R2 > | .199286 | < 1/R > | 3.560954 | < 1/R**2 > | 51.597664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.180124 | .94125345 |
| 2 | 1s | 25.236678 | .05641157 |
| 3 | 2s | 14.512314 | .01861683 |
| 4 | 3s | 20.158854 | -.01482363 |
| 5 | 4s | 29.518426 | .00251743 |
| 6 | 5s | 52.867010 | .00023758 |
| 7 | 5s | 13.070565 | .00063512 |
| 8 | 4s | 2.275544 | .00312608 |
| 9 | 3s | 1.666476 | -.00318528 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090896 | < R2 > | .011082 | < 1/R > | 16.605821 | < 1/R**2 > | 555.367370 |
Total Energy= -402.95878099 a.u.
Kinetic Energy= 402.94658823 a.u.
Potential Energy= -805.90536922 a.u.
Virial Ratio = -2.00003026