(1s 2 2s 2 2p 3 5s 1 ) 5 S P 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 11.942091 | .07407816 |
| 2 | 2s | 4.271572 | -.43010790 |
| 3 | 3s | 2.243120 | 2.59952922 |
| 4 | 4s | 1.975056 | -5.04278507 |
| 5 | 5s | 1.738640 | 3.36633092 |
| 6 | 4s | 11.995124 | -.00949256 |
| 7 | 5s | 31.908007 | .00020796 |
| ORB.ENERGY,a.u. | -1.512400 | ||
| NORM | .999999 | < R > | 3.983004 | < R2 > | 17.751428 | < 1/R > | .363068 | < 1/R**2 > | 1.341190 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.746704 | 1.33170200 |
| 2 | 3p | 7.306866 | -.41633262 |
| 3 | 4p | 8.912373 | .08074902 |
| 4 | 5p | 25.294547 | -.00236910 |
| 5 | 4p | 3.770489 | .00866303 |
| 6 | 4p | 32.933231 | -.00125212 |
| 7 | 5p | 3.892038 | -.00491116 |
| 8 | 3p | 1.376558 | .00012494 |
| 9 | 3p | 47.032980 | -.00010166 |
| ORB.ENERGY,a.u. | -13.368000 | ||
| NORM | 1.000000 | < R > | .423107 | < R2 > | .218304 | < 1/R > | 3.013815 | < 1/R**2 > | 12.417940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.103963 | .34861030 |
| 2 | 2s | 5.410994 | -.79799987 |
| 3 | 3s | 8.659677 | -.24801965 |
| 4 | 4s | 22.779305 | .00357595 |
| 5 | 5s | 8.427580 | -.04192991 |
| 6 | 4s | 1.178538 | .05251587 |
| 7 | 5s | 1.410518 | -.04257422 |
| 8 | 3s | 21.816725 | .00154903 |
| 9 | 3s | .880323 | -.01171385 |
| 10 | 4s | 75.055812 | -.00001002 |
| ORB.ENERGY,a.u. | -12.886000 | ||
| NORM | 1.000000 | < R > | .478296 | < R2 > | .268971 | < 1/R > | 3.057238 | < 1/R**2 > | 38.093938 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.174867 | .93082191 |
| 2 | 1s | 21.775225 | .06752326 |
| 3 | 2s | 12.098939 | .01853620 |
| 4 | 3s | 17.258000 | -.01514011 |
| 5 | 4s | 25.968167 | .00300256 |
| 6 | 5s | 47.758287 | .00022603 |
| 7 | 5s | 9.056308 | .00023440 |
| 8 | 4s | 1.978293 | -.00245306 |
| 9 | 3s | 1.471174 | .00248791 |
| ORB.ENERGY,a.u. | -86.684000 |
| NORM | 1.000000 | < R > | .103376 | < R2 > | .014342 | < 1/R > | 14.611269 | < 1/R**2 > | 430.316833 |
Total Energy= -306.89472634 a.u.
Kinetic Energy= 306.90120887 a.u.
Potential Energy= -613.79593522 a.u.
Virial Ratio = -1.99997888