(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 F S 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | .926989 | .79725769 |
| 2 | 4d | .655032 | -3.47223979 |
| 3 | 5d | .622039 | 3.31711532 |
| 4 | 3d | 3.222792 | .12627726 |
| 5 | 4d | 4.745977 | -.02925769 |
| 6 | 5d | 2.478278 | .05138755 |
| 7 | 3d | 9.208080 | .00077397 |
| ORB.ENERGY,a.u. | -.192800 | ||
| NORM | 1.000002 | < R > | 10.462160 | < R2 > | 126.301815 | < 1/R > | .148224 | < 1/R**2 > | .058813 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.587577 | .33051176 |
| 2 | 2p | 1.591821 | -.49447834 |
| 3 | 3p | 2.188119 | -.62414197 |
| 4 | 2p | 8.978136 | .09240775 |
| 5 | 3p | 14.400405 | -.00335273 |
| 6 | 4p | 2.584431 | .01934328 |
| 7 | 5p | .504545 | .00068654 |
| 8 | 4p | 32.117082 | -.00012587 |
| ORB.ENERGY,a.u. | -1.255200 | ||
| NORM | 1.000000 | < R > | 1.686923 | < R2 > | 3.281118 | < 1/R > | .789179 | < 1/R**2 > | 1.375294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.234091 | -.39175277 |
| 2 | 1s | 11.340406 | .20561985 |
| 3 | 1s | 47.639735 | .00018815 |
| 4 | 2s | 5.131988 | -.16134002 |
| 5 | 3s | 2.470100 | 1.01152037 |
| 6 | 4s | 4.408206 | .09785454 |
| 7 | 3s | 32.114800 | -.00062587 |
| 8 | 5s | 2.347654 | .07791862 |
| ORB.ENERGY,a.u. | -1.708600 | ||
| NORM | 1.000000 | < R > | 1.544131 | < R2 > | 2.719007 | < 1/R > | .876000 | < 1/R**2 > | 4.444209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 19.446410 | .00330659 |
| 2 | 2p | 8.913946 | .44647825 |
| 3 | 3p | 6.902560 | .50703349 |
| 4 | 5p | 3.880769 | .00499068 |
| 5 | 4p | 5.530019 | .14861955 |
| 6 | 5p | 30.482787 | -.00020864 |
| 7 | 4p | 34.313021 | -.00017346 |
| 8 | 3p | 1.285205 | .00013323 |
| ORB.ENERGY,a.u. | -7.544900 | ||
| NORM | 1.000000 | < R > | .440046 | < R2 > | .240808 | < 1/R > | 2.959433 | < 1/R**2 > | 12.238237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.010437 | .36728334 |
| 2 | 2s | 6.305186 | -.76623343 |
| 3 | 3s | 5.327257 | -.16179153 |
| 4 | 4s | 23.821597 | .00247631 |
| 5 | 2s | 5.337349 | -.19451421 |
| 6 | 3s | 17.755775 | .00546522 |
| 7 | 4s | 3.655289 | -.00174586 |
| 8 | 5s | 46.206130 | .00011032 |
| ORB.ENERGY,a.u. | -9.849800 | ||
| NORM | 1.000000 | < R > | .474359 | < R2 > | .266712 | < 1/R > | 3.081751 | < 1/R**2 > | 39.097220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.554953 | 1.01449900 |
| 2 | 2s | 20.544342 | -.02542207 |
| 3 | 3s | 12.091056 | .02045334 |
| 4 | 4s | 16.249750 | -.00018774 |
| 5 | 4s | 31.379974 | .00163462 |
| 6 | 2s | 67.232030 | .00001821 |
| 7 | 5s | 14.508777 | -.00547355 |
| 8 | 3s | 6.587771 | .00045288 |
| 9 | 4s | 3.578408 | -.00001317 |
| ORB.ENERGY,a.u. | -92.338000 |
| NORM | 1.000000 | < R > | .097135 | < R2 > | .012681 | < 1/R > | 15.568113 | < 1/R**2 > | 488.886910 |
Total Energy= -395.28509753 a.u.
Kinetic Energy= 395.27013617 a.u.
Potential Energy= -790.55523370 a.u.
Virial Ratio = -2.00003785