(1s 2 2s 2 2p 4 4p 1 ) 2 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | 8.967770 | .20146154 |
| 2 | 3p | 2.113430 | 2.31375486 |
| 3 | 4p | 3.932869 | -1.71839662 |
| 4 | 5p | 6.932011 | -.15932057 |
| 5 | 5p | 2.054668 | -.25839996 |
| 6 | 3p | 21.374238 | -.00108976 |
| 7 | 4p | 60.991479 | .00001411 |
| 8 | 4p | 1.249817 | .06726399 |
| 9 | 3p | .562750 | -.06760457 |
| 10 | 5p | .725368 | .04528393 |
| ORB.ENERGY,a.u. | -3.539600 | ||
| NORM | 1.000000 | < R > | 2.032873 | < R2 > | 4.674308 | < 1/R > | .694563 | < 1/R**2 > | 1.374085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.507914 | 1.13367813 |
| 2 | 3p | 7.283456 | -.20847515 |
| 3 | 2p | 13.673408 | .07150493 |
| 4 | 4p | 16.322886 | .01042876 |
| 5 | 5p | 2.932507 | .00141849 |
| 6 | 5p | 44.404322 | -.00012392 |
| 7 | 4p | 4.844625 | -.00228080 |
| ORB.ENERGY,a.u. | -19.072000 | ||
| NORM | 1.000000 | < R > | .347932 | < R2 > | .147805 | < 1/R > | 3.669355 | < 1/R**2 > | 18.423289 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.195500 | .41428854 |
| 2 | 2s | 7.806686 | -.86007527 |
| 3 | 3s | 7.368164 | -.30061411 |
| 4 | 4s | 14.343230 | .00491126 |
| 5 | 3s | 18.186285 | .01369918 |
| 6 | 5s | 39.291414 | .00052664 |
| 7 | 5s | 7.233577 | -.00895824 |
| 8 | 4s | 3.429031 | .00036895 |
| 9 | 2s | 103.810706 | .00000472 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393374 | < R2 > | .181882 | < 1/R > | 3.728796 | < 1/R**2 > | 56.729893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.131903 | .92019590 |
| 2 | 1s | 24.633882 | .07616971 |
| 3 | 2s | 11.283871 | .02010057 |
| 4 | 3s | 13.642090 | -.02036715 |
| 5 | 4s | 16.337263 | .00899899 |
| 6 | 5s | 44.051809 | .00069328 |
| 7 | 4s | 102.332021 | -.00002612 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085849 | < R2 > | .009887 | < 1/R > | 17.586329 | < 1/R**2 > | 622.944529 |
Total Energy= -476.45958820 a.u.
Kinetic Energy= 476.45149802 a.u.
Potential Energy= -952.91108622 a.u.
Virial Ratio = -2.00001698