(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 4 F Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .328112 | .68896469 |
| 2 | 4d | .202542 | -4.70461856 |
| 3 | 5d | .209416 | 4.73617630 |
| 4 | 4d | .802418 | .07083444 |
| 5 | 5d | 1.608513 | .03835257 |
| 6 | 3d | 1.978886 | .07547384 |
| 7 | 5d | 3.087599 | -.00844803 |
| 8 | 4d | 5.587131 | .00222802 |
| 9 | 3d | 7.297948 | .00190267 |
| ORB.ENERGY,a.u. | -.181100 | ||
| NORM | 1.000003 | < R > | 30.931049 | < R2 > | 1105.682268 | < 1/R > | .053134 | < 1/R**2 > | .009977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.578780 | .83287513 |
| 2 | 2p | 1.877282 | -1.07423060 |
| 3 | 3p | 4.236818 | -.38119238 |
| 4 | 2p | 9.691525 | .08051836 |
| 5 | 3p | 16.105911 | -.00244794 |
| 6 | 4p | 1.727651 | -.14234354 |
| 7 | 5p | 2.161624 | -.03571618 |
| 8 | 5p | 47.597489 | -.00004234 |
| 9 | 3p | 1.273044 | -.02492388 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.709925 | < R2 > | 3.433856 | < 1/R > | .782366 | < 1/R**2 > | 1.354521 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185805 | .79293878 |
| 2 | 1s | 9.575684 | .16722645 |
| 3 | 2s | 5.069472 | -.64392893 |
| 4 | 3s | 2.567738 | .46035144 |
| 5 | 4s | 4.998299 | .04059314 |
| 6 | 2s | 9.828830 | -.15334533 |
| 7 | 2s | 16.830798 | -.00694508 |
| 8 | 5s | 1.659350 | -.04630674 |
| 9 | 4s | 29.033159 | .00053751 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507029 | < R2 > | 2.620026 | < 1/R > | .901480 | < 1/R**2 > | 4.715780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.397981 | .46610075 |
| 2 | 3p | 7.267674 | .51304191 |
| 3 | 4p | 5.781630 | .11688956 |
| 4 | 5p | 3.742011 | .00318406 |
| 5 | 2p | 19.419667 | .00433977 |
| 6 | 5p | 37.750494 | -.00021211 |
| 7 | 3p | 1.476547 | .00044762 |
| 8 | 4p | 103.580249 | .00000332 |
| 9 | 3p | 29.392200 | -.00015089 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405522 | < R2 > | .204073 | < 1/R > | 3.202534 | < 1/R**2 > | 14.285205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762018 | .37486921 |
| 2 | 2s | 6.932960 | -.76838914 |
| 3 | 3s | 6.440228 | -.16180001 |
| 4 | 4s | 28.143005 | .00174971 |
| 5 | 2s | 4.830117 | -.19791603 |
| 6 | 3s | 17.546125 | .00664538 |
| 7 | 4s | 2.919055 | -.00136155 |
| 8 | 5s | 1.284926 | -.00001870 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441496 | < R2 > | .230930 | < 1/R > | 3.315923 | < 1/R**2 > | 45.245703 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577195 | 1.01112584 |
| 2 | 2s | 20.730547 | -.01850423 |
| 3 | 3s | 15.044210 | .01709799 |
| 4 | 4s | 62.503253 | -.00037543 |
| 5 | 4s | 8.163984 | .00126651 |
| 6 | 5s | 80.841037 | .00010690 |
| 7 | 5s | 8.243309 | -.00055033 |
| 8 | 2s | 28.331485 | -.00339263 |
| 9 | 2s | 166.081385 | .00000211 |
| 10 | 3s | 2.249770 | -.00002170 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559985 | < 1/R**2 > | 552.994411 |
Total Energy= -459.06986610 a.u.
Kinetic Energy= 459.07031733 a.u.
Potential Energy= -918.14018342 a.u.
Virial Ratio = -1.99999902