(1s 2 2s 2 2p 1 4s 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 12.924823 | .14054242 |
| 2 | 2s | 3.625162 | -1.84790296 |
| 3 | 3s | 3.650923 | 3.91561648 |
| 4 | 4s | 3.154725 | -2.69715636 |
| 5 | 5s | 11.107318 | -.02805494 |
| 6 | 4s | 14.203742 | -.02105036 |
| 7 | 5s | 33.645728 | .00038348 |
| ORB.ENERGY,a.u. | -5.034000 | ||
| NORM | .999999 | < R > | 1.798204 | < R2 > | 3.632693 | < 1/R > | .809848 | < 1/R**2 > | 5.260009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.109427 | 1.10953014 |
| 2 | 3p | 8.510974 | -.11849260 |
| 3 | 2p | 18.409785 | .00896791 |
| 4 | 5p | 24.942073 | .00062833 |
| 5 | 5p | 35.958785 | -.00041916 |
| 6 | 4p | 2.709093 | -.00016110 |
| 7 | 5p | 69.270555 | -.00003739 |
| ORB.ENERGY,a.u. | -23.394000 | ||
| NORM | 1.000000 | < R > | .342422 | < R2 > | .141773 | < 1/R > | 3.686228 | < 1/R**2 > | 18.353999 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.362522 | .39338517 |
| 2 | 2s | 6.804570 | -.80933391 |
| 3 | 3s | 9.062797 | -.28537878 |
| 4 | 4s | 32.411388 | .00118027 |
| 5 | 5s | 17.934402 | -.01115756 |
| 6 | 5s | 3.238310 | .00192267 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396240 | < R2 > | .183625 | < 1/R > | 3.711303 | < 1/R**2 > | 55.669896 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.198401 | .93717175 |
| 2 | 1s | 25.027443 | .05959908 |
| 3 | 2s | 15.384924 | .02001504 |
| 4 | 3s | 18.752578 | -.01446148 |
| 5 | 4s | 90.319230 | -.00004483 |
| 6 | 5s | 39.231622 | .00084380 |
| 7 | 5s | 3.170234 | -.00015350 |
| 8 | 3s | 4.793802 | .00016341 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090553 | < R2 > | .010979 | < 1/R > | 16.646228 | < 1/R**2 > | 557.470157 |
Total Energy= -364.43771194 a.u.
Kinetic Energy= 364.44451326 a.u.
Potential Energy= -728.88222520 a.u.
Virial Ratio = -1.99998134