(1s 2 2s 2 2p 6 3s 2 3p 2 ) 3 P Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 3p | 6.773438 | -.16833238 |
| 2 | 4p | 1.851780 | .11260557 |
| 3 | 2p | 5.160870 | .61493175 |
| 4 | 2p | 1.660488 | -.93675198 |
| 5 | 3p | 2.454926 | -.30916876 |
| 6 | 2p | 13.279907 | .01586743 |
| 7 | 4p | 2.129076 | .02798282 |
| 8 | 5p | 21.151672 | .00137267 |
| 9 | 4p | 57.685152 | -.00000553 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.521917 | < R2 > | 2.671760 | < 1/R > | .876802 | < 1/R**2 > | 1.689684 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.240148 | -.46061144 |
| 2 | 1s | 12.754932 | .17533492 |
| 3 | 2s | 6.130549 | -.20982347 |
| 4 | 3s | 2.692558 | 1.09050818 |
| 5 | 4s | 4.675570 | .17884962 |
| 6 | 3s | 18.564535 | .00367365 |
| 7 | 5s | 2.518609 | .06898078 |
| 8 | 4s | 56.222067 | -.00005690 |
| 9 | 2s | 2.050751 | .02252859 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.411598 | < R2 > | 2.274524 | < 1/R > | .963846 | < 1/R**2 > | 5.427467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.797998 | .42963746 |
| 2 | 3p | 7.643680 | .51271065 |
| 3 | 5p | 4.451294 | .00642490 |
| 4 | 4p | 6.160120 | .15900821 |
| 5 | 2p | 24.555166 | .00150905 |
| 6 | 5p | 31.939009 | -.00015939 |
| 7 | 3p | 47.266060 | .00003560 |
| 8 | 3p | 1.653246 | .00026541 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404782 | < R2 > | .203190 | < 1/R > | 3.206799 | < 1/R**2 > | 14.317725 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.737731 | .37659789 |
| 2 | 2s | 6.940532 | -.76913634 |
| 3 | 3s | 6.369258 | -.16257760 |
| 4 | 4s | 28.097790 | .00190724 |
| 5 | 2s | 4.944359 | -.19771457 |
| 6 | 3s | 17.123993 | .00701516 |
| 7 | 4s | 3.309937 | -.00085701 |
| 8 | 5s | 63.275249 | .00001624 |
| 9 | 5s | 5.250496 | -.00007601 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440547 | < R2 > | .229796 | < 1/R > | 3.322562 | < 1/R**2 > | 45.410299 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578497 | 1.01107507 |
| 2 | 2s | 20.673789 | -.01843870 |
| 3 | 3s | 15.066269 | .01706471 |
| 4 | 4s | 61.749321 | -.00039093 |
| 5 | 4s | 8.122464 | .00130275 |
| 6 | 5s | 79.592102 | .00011195 |
| 7 | 5s | 8.263225 | -.00057486 |
| 8 | 2s | 28.497313 | -.00340437 |
| 9 | 2s | 160.575579 | .00000240 |
| 10 | 3s | 1.785539 | -.00000736 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561267 | < 1/R**2 > | 553.060413 |
Total Energy= -456.78889385 a.u.
Kinetic Energy= 456.78887704 a.u.
Potential Energy= -913.57777089 a.u.
Virial Ratio = -2.00000004