(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | .707332 | .61093994 |
| 2 | 5p | 1.304670 | .60322357 |
| 3 | 4p | 3.791152 | -.30892998 |
| 4 | 2p | 7.320833 | .11092854 |
| 5 | 5p | 2.816157 | -.29986379 |
| 6 | 3p | 10.013708 | -.01526634 |
| 7 | 4p | 32.050468 | -.00015169 |
| 8 | 3p | .631413 | -.05626937 |
| ORB.ENERGY,a.u. | -.693800 | ||
| NORM | 1.000000 | < R > | 4.193123 | < R2 > | 19.638712 | < 1/R > | .306463 | < 1/R**2 > | .264066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.913158 | .35389104 |
| 2 | 2p | 1.547698 | -.83141224 |
| 3 | 3p | 2.548897 | -.41898374 |
| 4 | 2p | 9.327477 | .10363974 |
| 5 | 4p | 1.849308 | .16208665 |
| 6 | 3p | 12.494411 | -.00663548 |
| 7 | 4p | 30.714758 | -.00040861 |
| 8 | 5p | .976813 | -.00123407 |
| 9 | 5p | 91.374244 | -.00001151 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.527207 | < R2 > | 2.696925 | < 1/R > | .875326 | < 1/R**2 > | 1.686805 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.477080 | -.32414254 |
| 2 | 1s | 12.237335 | .19799840 |
| 3 | 1s | 59.731650 | .00009933 |
| 4 | 2s | 5.725751 | -.22106732 |
| 5 | 3s | 2.605381 | .98825649 |
| 6 | 4s | 4.617385 | .14599428 |
| 7 | 3s | 36.085103 | -.00056467 |
| 8 | 5s | 2.313579 | .04066503 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.416155 | < R2 > | 2.290772 | < 1/R > | .960772 | < 1/R**2 > | 5.392102 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.036002 | .40867353 |
| 2 | 3p | 7.946214 | .49398949 |
| 3 | 4p | 6.635783 | .18337590 |
| 4 | 5p | 5.757343 | .02230151 |
| 5 | 5p | 25.273078 | -.00054705 |
| 6 | 3p | 3.256446 | .00664857 |
| 7 | 2p | 25.882633 | .00093358 |
| 8 | 4p | 30.507723 | -.00050363 |
| 9 | 4p | .750503 | -.00008977 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404915 | < R2 > | .203348 | < 1/R > | 3.206044 | < 1/R**2 > | 14.312039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753762 | .37585174 |
| 2 | 2s | 6.936468 | -.76837747 |
| 3 | 3s | 6.414477 | -.16216791 |
| 4 | 4s | 26.603668 | .00172039 |
| 5 | 2s | 4.894280 | -.19784219 |
| 6 | 3s | 17.873751 | .00648378 |
| 7 | 4s | 3.205913 | -.00060716 |
| 8 | 5s | 45.055839 | .00012240 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440661 | < R2 > | .229929 | < 1/R > | 3.321756 | < 1/R**2 > | 45.390287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578355 | 1.01107954 |
| 2 | 2s | 20.682202 | -.01844393 |
| 3 | 3s | 15.065581 | .01706516 |
| 4 | 4s | 62.010993 | -.00038842 |
| 5 | 4s | 8.159833 | .00129694 |
| 6 | 5s | 80.167704 | .00011152 |
| 7 | 5s | 8.295975 | -.00056664 |
| 8 | 2s | 28.465578 | -.00340471 |
| 9 | 2s | 160.503581 | .00000234 |
| 10 | 3s | 1.906058 | -.00000776 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091283 | < R2 > | .011196 | < 1/R > | 16.561107 | < 1/R**2 > | 553.052122 |
Total Energy= -457.29931196 a.u.
Kinetic Energy= 457.30178258 a.u.
Potential Energy= -914.60109454 a.u.
Virial Ratio = -1.99999460