(1s 2 2s 2 2p 6 3s 2 3p 4 4d 1 ) 4 F Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | .404787 | .62038969 |
| 2 | 4d | .257135 | -.49436583 |
| 3 | 3d | 1.283916 | .58632539 |
| 4 | 4d | 2.160641 | -.19056052 |
| 5 | 5d | 1.698770 | -.28400918 |
| 6 | 5d | .285627 | -.65495385 |
| 7 | 3d | 6.680090 | .00275481 |
| 8 | 4d | 24.161142 | .00001102 |
| ORB.ENERGY,a.u. | -.193540 | ||
| NORM | .999999 | < R > | 18.241938 | < R2 > | 393.386463 | < 1/R > | .085795 | < 1/R**2 > | .018488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.579777 | .83115107 |
| 2 | 2p | 1.875906 | -1.07309469 |
| 3 | 3p | 4.236316 | -.38077116 |
| 4 | 2p | 9.694056 | .08041093 |
| 5 | 3p | 16.168707 | -.00241199 |
| 6 | 4p | 1.749926 | -.14164017 |
| 7 | 5p | 2.099888 | -.03680342 |
| 8 | 5p | 46.854205 | -.00004242 |
| 9 | 3p | 1.196083 | -.02517241 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.711488 | < R2 > | 3.441439 | < 1/R > | .781809 | < 1/R**2 > | 1.352793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185720 | .79264974 |
| 2 | 1s | 9.575749 | .16719214 |
| 3 | 2s | 5.069577 | -.64372334 |
| 4 | 3s | 2.567588 | .46015895 |
| 5 | 4s | 4.997089 | .04068942 |
| 6 | 2s | 9.829224 | -.15328523 |
| 7 | 2s | 16.824409 | -.00694869 |
| 8 | 5s | 1.659207 | -.04575336 |
| 9 | 4s | 29.022710 | .00054016 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507477 | < R2 > | 2.621903 | < 1/R > | .901263 | < 1/R**2 > | 4.713607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.397942 | .46611031 |
| 2 | 3p | 7.267692 | .51303237 |
| 3 | 4p | 5.781773 | .11688554 |
| 4 | 5p | 3.743757 | .00318081 |
| 5 | 2p | 19.419955 | .00433977 |
| 6 | 5p | 37.752134 | -.00021204 |
| 7 | 3p | 1.474148 | .00045048 |
| 8 | 4p | 103.488222 | .00000332 |
| 9 | 3p | 29.397632 | -.00015083 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405517 | < R2 > | .204068 | < 1/R > | 3.202559 | < 1/R**2 > | 14.285405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762032 | .37487076 |
| 2 | 2s | 6.932976 | -.76839010 |
| 3 | 3s | 6.440332 | -.16179933 |
| 4 | 4s | 28.141101 | .00174929 |
| 5 | 2s | 4.830086 | -.19791617 |
| 6 | 3s | 17.548363 | .00664450 |
| 7 | 4s | 2.915410 | -.00135920 |
| 8 | 5s | 1.275242 | -.00001893 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441494 | < R2 > | .230927 | < 1/R > | 3.315942 | < 1/R**2 > | 45.246170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577201 | 1.01112561 |
| 2 | 2s | 20.730393 | -.01850399 |
| 3 | 3s | 15.044340 | .01709784 |
| 4 | 4s | 62.504445 | -.00037546 |
| 5 | 4s | 8.163641 | .00126662 |
| 6 | 5s | 80.841284 | .00010690 |
| 7 | 5s | 8.243129 | -.00055035 |
| 8 | 2s | 28.331550 | -.00339264 |
| 9 | 2s | 166.208716 | .00000211 |
| 10 | 3s | 2.251764 | -.00002168 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559991 | < 1/R**2 > | 552.994733 |
Total Energy= -459.08197416 a.u.
Kinetic Energy= 459.08277508 a.u.
Potential Energy= -918.16474924 a.u.
Virial Ratio = -1.99999826