(1s 2 2s 2 2p 5 5p 1 ) 3 S Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 4.957253 | .20433564 |
| 2 | 3p | 2.387953 | -1.65569014 |
| 3 | 4p | 1.906964 | 4.11496381 |
| 4 | 5p | 1.722730 | -3.06817023 |
| 5 | 2p | 9.996244 | .04678420 |
| 6 | 5p | 15.498652 | .00274669 |
| 7 | 5p | 1.659318 | -.20552084 |
| 8 | 4p | 37.014486 | -.00013280 |
| ORB.ENERGY,a.u. | -1.473200 | ||
| NORM | .999998 | < R > | 3.967053 | < R2 > | 17.692387 | < 1/R > | .363723 | < 1/R**2 > | .496417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.875960 | 1.18871869 |
| 2 | 3p | 6.929149 | -.25565138 |
| 3 | 2p | 13.021987 | .06655577 |
| 4 | 4p | 15.766658 | .00941007 |
| 5 | 5p | 1.740488 | .00178229 |
| 6 | 5p | 39.695285 | -.00014029 |
| 7 | 4p | 2.244577 | -.00374859 |
| 8 | 5p | 3.331016 | .00253649 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .387101 | < R2 > | .184142 | < 1/R > | 3.323188 | < 1/R**2 > | 15.240162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.611322 | .39159273 |
| 2 | 2s | 7.168799 | -.84264489 |
| 3 | 3s | 6.486391 | -.30520485 |
| 4 | 4s | 18.323200 | .00516328 |
| 5 | 3s | 20.494596 | .00682764 |
| 6 | 5s | 35.711763 | .00057028 |
| 7 | 5s | 5.544633 | -.00335778 |
| 8 | 4s | 3.671059 | .00183923 |
| 9 | 3s | 2.638166 | -.00078651 |
| 10 | 2s | 85.563776 | .00000867 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429486 | < R2 > | .217464 | < 1/R > | 3.408039 | < 1/R**2 > | 47.577529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183630 | .92695686 |
| 2 | 1s | 23.719223 | .06885700 |
| 3 | 2s | 10.133998 | .02132512 |
| 4 | 3s | 12.560262 | -.02160948 |
| 5 | 4s | 15.573183 | .01061997 |
| 6 | 5s | 40.399633 | .00069922 |
| 7 | 4s | 93.214686 | -.00003779 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091155 | < R2 > | .011158 | < 1/R > | 16.575904 | < 1/R**2 > | 553.820810 |
Total Energy= -433.46133335 a.u.
Kinetic Energy= 433.47800382 a.u.
Potential Energy= -866.93933717 a.u.
Virial Ratio = -1.99996154