(1s 2 2s 2 2p 5 3d 1 ) 3 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 2.808044 | 1.11462860 |
| 2 | 3d | 6.542736 | .05099871 |
| 3 | 4d | 3.291924 | -.14727051 |
| 4 | 5d | 15.061632 | .00295717 |
| 5 | 4d | 21.348216 | .00087453 |
| 6 | 3d | 30.251901 | .00008978 |
| ORB.ENERGY,a.u. | -3.763000 | ||
| NORM | 1.000000 | < R > | 1.196507 | < R2 > | 1.659842 | < 1/R > | .996230 | < 1/R**2 > | 1.230186 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.789254 | 1.20344675 |
| 2 | 3p | 6.755300 | -.27833896 |
| 3 | 2p | 12.843837 | .07254466 |
| 4 | 4p | 15.549967 | .01020162 |
| 5 | 5p | 4.408025 | .00113346 |
| 6 | 5p | 40.352567 | -.00012994 |
| ORB.ENERGY,a.u. | -13.628000 | ||
| NORM | 1.000000 | < R > | .388309 | < R2 > | .185548 | < 1/R > | 3.316552 | < 1/R**2 > | 15.192230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.581518 | .39228093 |
| 2 | 2s | 7.178913 | -.84164801 |
| 3 | 3s | 6.478248 | -.30523080 |
| 4 | 4s | 18.093137 | .00453389 |
| 5 | 3s | 19.800300 | .00686279 |
| 6 | 5s | 35.021078 | .00065219 |
| 7 | 5s | 6.033393 | -.00576141 |
| 8 | 3s | 56.588172 | -.00005327 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430319 | < R2 > | .218468 | < 1/R > | 3.402477 | < 1/R**2 > | 47.440317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184223 | .92695959 |
| 2 | 1s | 23.721250 | .06884880 |
| 3 | 2s | 10.153494 | .02128071 |
| 4 | 3s | 12.575889 | -.02158268 |
| 5 | 4s | 15.578716 | .01060851 |
| 6 | 5s | 40.962244 | .00070836 |
| 7 | 4s | 91.559755 | -.00003230 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091148 | < R2 > | .011156 | < 1/R > | 16.576798 | < 1/R**2 > | 553.868495 |
Total Energy= -435.74688252 a.u.
Kinetic Energy= 435.76916311 a.u.
Potential Energy= -871.51604563 a.u.
Virial Ratio = -1.99994887