(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 1.621376 | 1.15624645 |
| 2 | 4d | 1.840756 | -.32311293 |
| 3 | 3d | 3.231016 | .35180539 |
| 4 | 4d | 3.892173 | -.13188184 |
| 5 | 5d | 6.783022 | -.01665420 |
| 6 | 3d | 9.287416 | .00522876 |
| ORB.ENERGY,a.u. | -1.131800 | ||
| NORM | 1.000000 | < R > | 1.843392 | < R2 > | 4.038164 | < 1/R > | .666845 | < 1/R**2 > | .573325 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.156072 | .34717135 |
| 2 | 2p | 1.696516 | -.50335405 |
| 3 | 3p | 2.523083 | -.59712611 |
| 4 | 2p | 9.942655 | .08212043 |
| 5 | 3p | 18.169861 | -.00189409 |
| 6 | 4p | 1.838558 | .04966988 |
| 7 | 5p | 2.308166 | -.05020377 |
| 8 | 4p | 68.135010 | .00000674 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.514650 | < R2 > | 2.649199 | < 1/R > | .883408 | < 1/R**2 > | 1.720584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.236871 | -.35623619 |
| 2 | 1s | 12.252755 | .19885219 |
| 3 | 1s | 65.372130 | .00007627 |
| 4 | 2s | 5.808017 | -.21353343 |
| 5 | 3s | 2.690459 | .99996459 |
| 6 | 4s | 4.649158 | .13877011 |
| 7 | 3s | 36.914965 | -.00057859 |
| 8 | 5s | 2.515322 | .06604032 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.402994 | < R2 > | 2.246575 | < 1/R > | .970612 | < 1/R**2 > | 5.509467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788436 | .43124561 |
| 2 | 3p | 7.643598 | .51129309 |
| 3 | 5p | 4.421247 | .00614657 |
| 4 | 4p | 6.160158 | .15886941 |
| 5 | 2p | 24.766592 | .00148161 |
| 6 | 5p | 30.995336 | -.00015806 |
| 7 | 3p | 45.525602 | .00004404 |
| 8 | 3p | 1.647083 | .00026521 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404419 | < R2 > | .202822 | < 1/R > | 3.209517 | < 1/R**2 > | 14.340533 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.734358 | .37717465 |
| 2 | 2s | 6.944924 | -.76937627 |
| 3 | 3s | 6.364034 | -.16280994 |
| 4 | 4s | 28.097282 | .00175675 |
| 5 | 2s | 4.968710 | -.19735177 |
| 6 | 3s | 17.471490 | .00704823 |
| 7 | 4s | 4.225524 | -.00055861 |
| 8 | 5s | 2.958709 | -.00019903 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440050 | < R2 > | .229234 | < 1/R > | 3.326384 | < 1/R**2 > | 45.507032 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579507 | 1.01105891 |
| 2 | 2s | 20.615904 | -.01841896 |
| 3 | 3s | 15.117501 | .01700320 |
| 4 | 4s | 61.880828 | -.00038960 |
| 5 | 4s | 8.409392 | .00132546 |
| 6 | 5s | 79.935112 | .00010957 |
| 7 | 5s | 8.651771 | -.00052858 |
| 8 | 2s | 28.532090 | -.00343357 |
| 9 | 2s | 162.474350 | .00000237 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091270 | < R2 > | .011193 | < 1/R > | 16.562663 | < 1/R**2 > | 553.133361 |
Total Energy= -456.00916356 a.u.
Kinetic Energy= 455.99514273 a.u.
Potential Energy= -912.00430629 a.u.
Virial Ratio = -2.00003075