(1s 2 2s 2 2p 6 3s 2 3p 4 3d 1 ) 4 P Cl 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | .350494 | 1.18077263 |
| 2 | 4d | .439656 | -.21333307 |
| 3 | 3d | 1.384376 | .39190071 |
| 4 | 4d | 1.728144 | -.42110783 |
| 5 | 5d | 2.080445 | .13536690 |
| 6 | 3d | 6.536058 | .00250058 |
| 7 | 4d | 20.158397 | .00002579 |
| ORB.ENERGY,a.u. | -.216790 | ||
| NORM | 1.000000 | < R > | 9.552255 | < R2 > | 107.501853 | < 1/R > | .131834 | < 1/R**2 > | .025780 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.581663 | .82920299 |
| 2 | 2p | 1.870901 | -1.07466403 |
| 3 | 3p | 4.236699 | -.38086509 |
| 4 | 2p | 9.692308 | .08047361 |
| 5 | 3p | 16.129943 | -.00242819 |
| 6 | 4p | 1.785461 | -.14251668 |
| 7 | 5p | 1.979116 | -.04172378 |
| 8 | 5p | 46.879607 | -.00004360 |
| 9 | 3p | 1.034301 | -.01641200 |
| ORB.ENERGY,a.u. | -.592220 | ||
| NORM | 1.000000 | < R > | 1.711203 | < R2 > | 3.440810 | < 1/R > | .782020 | < 1/R**2 > | 1.353616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.185611 | .79293277 |
| 2 | 1s | 9.575574 | .16720345 |
| 3 | 2s | 5.069411 | -.64383022 |
| 4 | 3s | 2.567402 | .46026855 |
| 5 | 4s | 5.001689 | .04061306 |
| 6 | 2s | 9.828762 | -.15331929 |
| 7 | 2s | 16.832440 | -.00694416 |
| 8 | 5s | 1.664696 | -.04599246 |
| 9 | 4s | 29.035482 | .00053723 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.507398 | < R2 > | 2.621658 | < 1/R > | .901317 | < 1/R**2 > | 4.714222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.398008 | .46610010 |
| 2 | 3p | 7.267695 | .51304335 |
| 3 | 4p | 5.781587 | .11689016 |
| 4 | 5p | 3.740281 | .00318698 |
| 5 | 2p | 19.419396 | .00433974 |
| 6 | 5p | 37.753028 | -.00021209 |
| 7 | 3p | 1.468569 | .00045092 |
| 8 | 4p | 103.642014 | .00000331 |
| 9 | 3p | 29.383023 | -.00015099 |
| ORB.ENERGY,a.u. | -7.865700 | ||
| NORM | 1.000000 | < R > | .405521 | < R2 > | .204073 | < 1/R > | 3.202540 | < 1/R**2 > | 14.285264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.762021 | .37487034 |
| 2 | 2s | 6.932961 | -.76838834 |
| 3 | 3s | 6.440583 | -.16179722 |
| 4 | 4s | 28.154960 | .00174930 |
| 5 | 2s | 4.830089 | -.19791574 |
| 6 | 3s | 17.540474 | .00664771 |
| 7 | 4s | 2.934708 | -.00136025 |
| 8 | 5s | 1.507642 | -.00002641 |
| ORB.ENERGY,a.u. | -10.336000 | ||
| NORM | 1.000000 | < R > | .441495 | < R2 > | .230929 | < 1/R > | 3.315934 | < 1/R**2 > | 45.245985 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.577198 | 1.01112573 |
| 2 | 2s | 20.730464 | -.01850413 |
| 3 | 3s | 15.044271 | .01709793 |
| 4 | 4s | 62.504899 | -.00037544 |
| 5 | 4s | 8.163852 | .00126654 |
| 6 | 5s | 80.841175 | .00010690 |
| 7 | 5s | 8.243538 | -.00055031 |
| 8 | 2s | 28.331479 | -.00339263 |
| 9 | 2s | 166.137191 | .00000211 |
| 10 | 3s | 2.252214 | -.00002171 |
| ORB.ENERGY,a.u. | -104.100000 |
| NORM | 1.000000 | < R > | .091293 | < R2 > | .011199 | < 1/R > | 16.559988 | < 1/R**2 > | 552.994577 |
Total Energy= -459.10824125 a.u.
Kinetic Energy= 459.10602528 a.u.
Potential Energy= -918.21426653 a.u.
Virial Ratio = -2.00000483