(1s 2 2s 2 2p 6 3s 1 4p 1 ) 3 P Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | 1.278700 | .37107559 |
| 2 | 2p | 7.973202 | .15407891 |
| 3 | 3p | 12.692780 | -.00810822 |
| 4 | 4p | 3.152724 | -.76787852 |
| 5 | 5p | 1.931944 | .97046880 |
| 6 | 5p | 5.593582 | -.12388522 |
| 7 | 4p | 16.834573 | .00131765 |
| ORB.ENERGY,a.u. | -1.481400 | ||
| NORM | 1.000000 | < R > | 2.918858 | < R2 > | 9.601351 | < 1/R > | .473426 | < 1/R**2 > | .667416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.253488 | -.05786504 |
| 2 | 1s | 5.510801 | .05128627 |
| 3 | 1s | 13.634562 | .13505668 |
| 4 | 2s | 6.152911 | -.50993274 |
| 5 | 3s | 2.819540 | .79918181 |
| 6 | 4s | 3.912865 | .36327670 |
| 7 | 5s | 6.888625 | -.03702674 |
| 8 | 4s | 26.712491 | .00176536 |
| 9 | 3s | 35.280643 | .00018418 |
| 10 | 2s | .800402 | .00050908 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.289678 | < R2 > | 1.884862 | < 1/R > | 1.068899 | < 1/R**2 > | 6.803304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.648205 | .44414639 |
| 2 | 3p | 7.653430 | .48818900 |
| 3 | 5p | 5.405352 | .01014879 |
| 4 | 4p | 6.381924 | .16008744 |
| 5 | 2p | 21.275859 | .00287574 |
| 6 | 5p | 40.266081 | -.00014677 |
| 7 | 3p | 85.861012 | .00000256 |
| 8 | 3p | 1.060146 | -.00005322 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .402140 | < R2 > | .200070 | < 1/R > | 3.222048 | < 1/R**2 > | 14.434071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.663357 | .38067023 |
| 2 | 2s | 7.060695 | -.83761610 |
| 3 | 3s | 6.196621 | -.30167684 |
| 4 | 4s | 28.547522 | .00196444 |
| 5 | 3s | 16.187650 | .00916233 |
| 6 | 2s | 2.652085 | -.01020802 |
| 7 | 4s | 2.857615 | .00333468 |
| 8 | 5s | 72.731125 | .00001509 |
| 9 | 5s | 2.551914 | -.00077958 |
| 10 | 3s | 1.297046 | .00016319 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439258 | < R2 > | .228267 | < 1/R > | 3.331541 | < 1/R**2 > | 45.631089 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579868 | 1.01107133 |
| 2 | 2s | 20.577999 | -.01843067 |
| 3 | 3s | 15.138909 | .01698001 |
| 4 | 4s | 60.002381 | -.00039396 |
| 5 | 4s | 8.488801 | .00134109 |
| 6 | 5s | 76.162987 | .00010810 |
| 7 | 5s | 8.771912 | -.00052638 |
| 8 | 2s | 28.658825 | -.00344432 |
| 9 | 2s | 146.943162 | .00000347 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091264 | < R2 > | .011191 | < 1/R > | 16.563414 | < 1/R**2 > | 553.174771 |
Total Energy= -450.40397988 a.u.
Kinetic Energy= 450.41085085 a.u.
Potential Energy= -900.81483073 a.u.
Virial Ratio = -1.99998475