(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 2 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 1.129967 | 1.09982179 |
| 2 | 4d | 1.209679 | -.45778985 |
| 3 | 3d | 2.316445 | .72429163 |
| 4 | 4d | 2.786753 | -.39286717 |
| 5 | 5d | 3.138660 | .06201505 |
| 6 | 3d | 7.390734 | .01480128 |
| 7 | 4d | 40.474947 | .00000794 |
| ORB.ENERGY,a.u. | -.874050 | ||
| NORM | 1.000000 | < R > | 2.186091 | < R2 > | 5.773293 | < 1/R > | .574855 | < 1/R**2 > | .437990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.856895 | .36588960 |
| 2 | 2p | 1.711762 | -.80222996 |
| 3 | 3p | 2.411510 | -.36704765 |
| 4 | 2p | 9.462205 | .09606596 |
| 5 | 4p | 2.736497 | .04646203 |
| 6 | 3p | 13.744390 | -.00433454 |
| 7 | 4p | 32.074897 | -.00027253 |
| 8 | 5p | 100.459076 | -.00000611 |
| 9 | 5p | 1.021914 | .00013330 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.573376 | < R2 > | 2.869870 | < 1/R > | .848513 | < 1/R**2 > | 1.586248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.394404 | -.31980044 |
| 2 | 1s | 12.289271 | .19177117 |
| 3 | 1s | 93.612808 | .00002754 |
| 4 | 2s | 5.732435 | -.21796009 |
| 5 | 3s | 2.642107 | .95644069 |
| 6 | 4s | 4.663763 | .13464563 |
| 7 | 3s | 37.622388 | -.00065798 |
| 8 | 5s | 2.413354 | .09922168 |
| 9 | 4s | 105.931833 | -.00001485 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.442560 | < R2 > | 2.384362 | < 1/R > | .942784 | < 1/R**2 > | 5.182424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.959708 | .41308125 |
| 2 | 3p | 7.908746 | .49221429 |
| 3 | 4p | 6.539954 | .18800719 |
| 4 | 5p | 5.297172 | .01839972 |
| 5 | 5p | 34.855587 | -.00021623 |
| 6 | 3p | 2.287264 | .00165251 |
| 7 | 2p | 24.082012 | .00152440 |
| 8 | 4p | 93.069050 | .00000524 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404900 | < R2 > | .203374 | < 1/R > | 3.206534 | < 1/R**2 > | 14.317101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753242 | .37591161 |
| 2 | 2s | 6.939831 | -.76841284 |
| 3 | 3s | 6.427327 | -.16203491 |
| 4 | 4s | 27.040090 | .00175777 |
| 5 | 2s | 4.875871 | -.19812966 |
| 6 | 3s | 17.869090 | .00646386 |
| 7 | 4s | 2.764624 | -.00061867 |
| 8 | 5s | 46.024727 | .00007259 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440656 | < R2 > | .229944 | < 1/R > | 3.322023 | < 1/R**2 > | 45.398187 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578718 | 1.01107288 |
| 2 | 2s | 20.667701 | -.01843801 |
| 3 | 3s | 15.075793 | .01705316 |
| 4 | 4s | 62.127816 | -.00039037 |
| 5 | 4s | 8.139052 | .00130495 |
| 6 | 5s | 80.281431 | .00011164 |
| 7 | 5s | 8.273854 | -.00056828 |
| 8 | 2s | 28.472278 | -.00340567 |
| 9 | 2s | 168.198962 | .00000213 |
| 10 | 3s | 1.689855 | -.00000651 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091279 | < R2 > | .011195 | < 1/R > | 16.561588 | < 1/R**2 > | 553.077583 |
Total Energy= -457.47801154 a.u.
Kinetic Energy= 457.48357100 a.u.
Potential Energy= -914.96158254 a.u.
Virial Ratio = -1.99998785