(1s 2 2s 2 2p 3 4s 1 ) 3 S Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 13.531433 | .10923436 |
| 2 | 2s | 3.450646 | -1.48135428 |
| 3 | 3s | 3.300472 | 3.31461939 |
| 4 | 4s | 2.718467 | -2.31991077 |
| 5 | 5s | 4.615276 | -.16829253 |
| 6 | 4s | 14.820022 | -.00770596 |
| 7 | 5s | 37.819760 | .00015410 |
| 8 | 4s | 61.725686 | -.00000200 |
| ORB.ENERGY,a.u. | -3.696200 | ||
| NORM | 1.000000 | < R > | 2.042789 | < R2 > | 4.684185 | < 1/R > | .694312 | < 1/R**2 > | 3.736330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.779945 | 1.26469850 |
| 2 | 3p | 8.851611 | -.34702834 |
| 3 | 4p | 11.160859 | .07537508 |
| 4 | 5p | 22.054324 | .00347178 |
| 5 | 4p | 4.701350 | .00463388 |
| 6 | 5p | 22.003019 | -.00007186 |
| 7 | 5p | 4.457185 | -.00110633 |
| ORB.ENERGY,a.u. | -18.854000 | ||
| NORM | 1.000000 | < R > | .361667 | < R2 > | .159126 | < 1/R > | 3.515525 | < 1/R**2 > | 16.836073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.603479 | .40986059 |
| 2 | 2s | 7.134165 | -.89475620 |
| 3 | 3s | 6.988233 | -.29939273 |
| 4 | 4s | 7.902739 | .04982790 |
| 5 | 3s | 18.411586 | .01201127 |
| 6 | 5s | 2.931109 | -.01428155 |
| 7 | 2s | 92.874293 | .00000790 |
| 8 | 3s | 2.378233 | .01019821 |
| 9 | 4s | 54.224410 | -.00012582 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .411621 | < R2 > | .198961 | < 1/R > | 3.563812 | < 1/R**2 > | 51.675088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192176 | .94046220 |
| 2 | 1s | 25.333424 | .05593360 |
| 3 | 2s | 15.653433 | .01790854 |
| 4 | 3s | 19.114928 | -.01528239 |
| 5 | 4s | 20.177889 | .00425079 |
| 6 | 5s | 14.493143 | .00144193 |
| 7 | 4s | 2.261666 | .00368983 |
| 8 | 5s | 41.621330 | .00092451 |
| 9 | 3s | 1.868816 | -.00329260 |
| 10 | 3s | 75.944994 | -.00004414 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090902 | < R2 > | .011083 | < 1/R > | 16.605128 | < 1/R**2 > | 555.330689 |
Total Energy= -404.38251192 a.u.
Kinetic Energy= 404.35635443 a.u.
Potential Energy= -808.73886635 a.u.
Virial Ratio = -2.00006469