(1s 2 2s 2 2p 6 3s 2 3p 3 5s 1 ) 5 S S 0
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 | .927019 | .22129625 |
| 2 | 1s | 13.942550 | .00937599 |
| 3 | 2s | 5.566369 | -.09338877 |
| 4 | 3s | 2.184389 | .06271585 |
| 5 | 4s | .767419 | -.22986930 |
| 6 | 5s | .419840 | .53715008 |
| 7 | 5s | 18.021959 | -.00052803 |
| 8 | 2s | .410373 | -.70289864 |
| 9 | 3s | .306626 | .84704901 |
| 10 | 4s | 5.540467 | -.02627088 |
| ORB.ENERGY,a.u. | -.056067 | ||
| NORM | 1.000000 | < R > | 13.534949 | < R2 > | 206.148154 | < 1/R > | .097480 | < 1/R**2 > | .074470 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 4p | 2.748813 | -.11769695 |
| 2 | 2p | 5.972142 | .37946178 |
| 3 | 2p | 1.395406 | -.95873722 |
| 4 | 3p | 8.997861 | -.05569966 |
| 5 | 5p | 6.397464 | .06093393 |
| 6 | 4p | 26.393113 | -.00013056 |
| 7 | 5p | 11.913936 | -.00128455 |
| 8 | 3p | 17.735871 | -.00098360 |
| 9 | 3p | .792023 | -.00395390 |
| 10 | 5p | .616727 | .00161264 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.884229 | < R2 > | 4.147328 | < 1/R > | .703777 | < 1/R**2 > | 1.090352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.192892 | 1.82586723 |
| 2 | 1s | 14.699078 | .04967316 |
| 3 | 2s | 5.521095 | -.92692288 |
| 4 | 3s | 1.401051 | -.21457006 |
| 5 | 4s | 4.452420 | -.26193979 |
| 6 | 5s | 7.110165 | -.11203308 |
| 7 | 5s | .301162 | -.12327401 |
| 8 | 3s | 48.895796 | -.00034923 |
| 9 | 4s | 70.883992 | .00011228 |
| 10 | 2s | 140.564299 | -.00000433 |
| 11 | 5s | .298737 | .11970870 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.660845 | < R2 > | 3.184314 | < 1/R > | .812945 | < 1/R**2 > | 3.790349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946269 | .44315542 |
| 2 | 3p | 6.916231 | .50875886 |
| 3 | 4p | 5.544285 | .15038192 |
| 4 | 5p | 4.023032 | .00650915 |
| 5 | 2p | 21.379263 | .00243165 |
| 6 | 3p | 49.722221 | .00002859 |
| 7 | 4p | 1.749555 | .00021259 |
| 8 | 5p | 60.904561 | .00001796 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440825 | < R2 > | .241773 | < 1/R > | 2.955356 | < 1/R**2 > | 12.208835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924512 | .37011515 |
| 2 | 2s | 6.883786 | -.73721382 |
| 3 | 3s | 6.024393 | -.38884333 |
| 4 | 4s | 4.884303 | -.02956953 |
| 5 | 3s | 15.823546 | .00936539 |
| 6 | 4s | 26.705225 | .00175958 |
| 7 | 5s | 2.510659 | -.00050692 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475529 | < R2 > | .268214 | < 1/R > | 3.074668 | < 1/R**2 > | 38.933645 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563590 | 1.01357492 |
| 2 | 2s | 18.223527 | -.01501413 |
| 3 | 3s | 14.023253 | .01728970 |
| 4 | 4s | 62.623564 | -.00035969 |
| 5 | 4s | 6.671520 | .00185278 |
| 6 | 5s | 82.273221 | .00011294 |
| 7 | 5s | 7.109025 | -.00118493 |
| 8 | 2s | 23.677918 | -.00960525 |
| 9 | 2s | 213.261498 | .00000079 |
| 10 | 3s | 1.440337 | -.00001086 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566716 | < 1/R**2 > | 488.819305 |
Total Energy= -397.22783428 a.u.
Kinetic Energy= 397.22914770 a.u.
Potential Energy= -794.45698198 a.u.
Virial Ratio = -1.99999669