(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 1 P P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 8.493411 | .03748455 |
| 2 | 2s | 7.004613 | -.06924259 |
| 3 | 3s | 2.413426 | .15799241 |
| 4 | 4s | .951228 | -.73171475 |
| 5 | 5s | .608964 | 1.35091896 |
| 6 | 4s | 6.384213 | -.03503408 |
| 7 | 5s | 32.377596 | .00003910 |
| 8 | 3s | 1.432075 | .27093151 |
| 9 | 2s | 15.747543 | -.00142811 |
| 10 | 2s | .550353 | -.33308888 |
| ORB.ENERGY,a.u. | -.156270 | ||
| NORM | .999998 | < R > | 9.708107 | < R2 > | 105.310819 | < 1/R > | .135343 | < 1/R**2 > | .141470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.870921 | .31173198 |
| 2 | 2p | 1.381006 | -.76388966 |
| 3 | 3p | 1.782613 | -.36011463 |
| 4 | 2p | 7.653859 | .11586762 |
| 5 | 3p | 10.744791 | -.01268611 |
| 6 | 4p | .570983 | -.00176690 |
| 7 | 5p | 18.795377 | .00119551 |
| 8 | 5p | 1.787336 | .02089367 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.987258 | < R2 > | 4.562076 | < 1/R > | .664098 | < 1/R**2 > | .974050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.492878 | 1.90385334 |
| 2 | 1s | 17.168984 | .01653314 |
| 3 | 2s | 5.475611 | -1.09426872 |
| 4 | 3s | 2.148158 | -.20423218 |
| 5 | 4s | 4.599959 | -.47628088 |
| 6 | 5s | 7.339488 | -.10889365 |
| 7 | 4s | 2.181794 | .31695412 |
| 8 | 3s | 42.145898 | -.00005739 |
| 9 | 5s | .533811 | .00284750 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.768334 | < R2 > | 3.578680 | < 1/R > | .758176 | < 1/R**2 > | 3.271280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924953 | .47475026 |
| 2 | 3p | 6.070971 | .49866578 |
| 3 | 4p | 4.807873 | .12609264 |
| 4 | 5p | 3.138219 | .00311784 |
| 5 | 2p | 15.363410 | .00812487 |
| 6 | 4p | 26.424230 | -.00068453 |
| 7 | 3p | 32.724592 | -.00008225 |
| 8 | 3p | .761066 | .00004635 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482980 | < R2 > | .291227 | < 1/R > | 2.708151 | < 1/R**2 > | 10.296502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195351 | .36022657 |
| 2 | 2s | 5.446032 | -.77637198 |
| 3 | 3s | 4.880209 | -.17106786 |
| 4 | 5s | 24.132744 | .00152983 |
| 5 | 2s | 6.753305 | -.17542877 |
| 6 | 3s | 15.568007 | .00745351 |
| 7 | 4s | 3.761521 | -.00389209 |
| 8 | 4s | 28.496287 | .00132723 |
| 9 | 5s | 1.808984 | -.00002750 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514726 | < R2 > | .314616 | < 1/R > | 2.836514 | < 1/R**2 > | 33.159703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560836 | 1.01529209 |
| 2 | 2s | 19.685566 | -.02550265 |
| 3 | 3s | 11.157052 | .01966759 |
| 4 | 4s | 50.978396 | -.00002057 |
| 5 | 4s | 29.802053 | .00126849 |
| 6 | 2s | 59.846166 | .00003387 |
| 7 | 5s | 13.215172 | -.00537249 |
| 8 | 3s | 6.722720 | .00075518 |
| 9 | 4s | 2.431461 | -.00000284 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574412 | < 1/R**2 > | 428.644985 |
Total Energy= -339.80359236 a.u.
Kinetic Energy= 339.80110508 a.u.
Potential Energy= -679.60469744 a.u.
Virial Ratio = -2.00000732