(1s 2 2s 2 2p 4 5p 1 ) 4 S S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 4.340155 | .23550001 |
| 2 | 3p | 2.069728 | -2.54839088 |
| 3 | 4p | 1.892451 | 5.18476328 |
| 4 | 5p | 1.684349 | -3.43671257 |
| 5 | 2p | 9.398347 | .04910352 |
| 6 | 5p | 15.660358 | .00184391 |
| 7 | 4p | 36.251095 | -.00010332 |
| ORB.ENERGY,a.u. | -1.430400 | ||
| NORM | .999998 | < R > | 4.082561 | < R2 > | 18.740887 | < 1/R > | .351920 | < 1/R**2 > | .450114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 12.516334 | .06383142 |
| 2 | 4p | 15.070153 | .01302755 |
| 3 | 5p | 3.269568 | .00337405 |
| 4 | 5p | 21.202681 | -.00059649 |
| 5 | 4p | 62.438628 | .00003000 |
| 6 | 4p | 3.316478 | -.00411650 |
| 7 | 3p | 1.016816 | -.00069946 |
| 8 | 2p | 5.589240 | 1.17350793 |
| 9 | 3p | 6.404578 | -.24190385 |
| ORB.ENERGY,a.u. | -13.508000 | ||
| NORM | 1.000000 | < R > | .404694 | < R2 > | .200567 | < 1/R > | 3.166240 | < 1/R**2 > | 13.777199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.795691 | .39496486 |
| 2 | 2s | 6.766902 | -.85072796 |
| 3 | 3s | 6.235267 | -.29893740 |
| 4 | 4s | 17.511179 | .00880478 |
| 5 | 3s | 21.064776 | .00683912 |
| 6 | 5s | 31.665107 | .00067856 |
| 7 | 5s | 5.492631 | -.00481335 |
| 8 | 4s | 4.247705 | .00197840 |
| 9 | 2s | 59.992228 | .00003673 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452543 | < R2 > | .241077 | < 1/R > | 3.232683 | < 1/R**2 > | 42.704740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164311 | .91838007 |
| 2 | 1s | 22.032537 | .07826279 |
| 3 | 2s | 9.708303 | .01983853 |
| 4 | 3s | 11.840003 | -.01991939 |
| 5 | 4s | 14.349470 | .00902790 |
| 6 | 5s | 39.002046 | .00079438 |
| 7 | 4s | 91.478756 | -.00002871 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096887 | < R2 > | .012601 | < 1/R > | 15.593029 | < 1/R**2 > | 490.096862 |
Total Energy= -366.69887563 a.u.
Kinetic Energy= 366.69146338 a.u.
Potential Energy= -733.39033901 a.u.
Virial Ratio = -2.00002021