(1s 2 2s 2 2p 5 3d 1 ) 1 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 2.837986 | 1.15031222 |
| 2 | 3d | 7.688558 | .03169503 |
| 3 | 4d | 3.585782 | -.16769840 |
| 4 | 4d | 45.048939 | .00001130 |
| 5 | 5d | 38.173222 | -.00000957 |
| 6 | 5d | 2.060418 | .00510628 |
| 7 | 5d | 1.702579 | -.00168353 |
| ORB.ENERGY,a.u. | -3.726500 | ||
| NORM | 1.000000 | < R > | 1.214769 | < R2 > | 1.707527 | < 1/R > | .978826 | < 1/R**2 > | 1.184293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.804445 | 1.20206619 |
| 2 | 3p | 6.779403 | -.27537110 |
| 3 | 2p | 12.887317 | .07120549 |
| 4 | 4p | 15.632717 | .00996993 |
| 5 | 5p | 4.392390 | .00107526 |
| 6 | 5p | 39.918738 | -.00013405 |
| ORB.ENERGY,a.u. | -13.591000 | ||
| NORM | 1.000000 | < R > | .388006 | < R2 > | .185214 | < 1/R > | 3.318408 | < 1/R**2 > | 15.206303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.598504 | .39157571 |
| 2 | 2s | 7.175518 | -.84220159 |
| 3 | 3s | 6.466121 | -.30535110 |
| 4 | 4s | 18.539556 | .00535161 |
| 5 | 3s | 20.531643 | .00667227 |
| 6 | 5s | 36.355919 | .00055015 |
| 7 | 5s | 5.652600 | -.00552066 |
| 8 | 4s | 3.946274 | .00164566 |
| 9 | 3s | 2.827701 | -.00060897 |
| 10 | 2s | 89.001284 | .00000705 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430280 | < R2 > | .218420 | < 1/R > | 3.402746 | < 1/R**2 > | 47.447131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184223 | .92695673 |
| 2 | 1s | 23.719802 | .06885279 |
| 3 | 2s | 10.148249 | .02129070 |
| 4 | 3s | 12.571958 | -.02158929 |
| 5 | 4s | 15.578093 | .01060929 |
| 6 | 5s | 40.862334 | .00070700 |
| 7 | 4s | 91.920726 | -.00003360 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091149 | < R2 > | .011156 | < 1/R > | 16.576689 | < 1/R**2 > | 553.862714 |
Total Energy= -435.74720205 a.u.
Kinetic Energy= 435.73263388 a.u.
Potential Energy= -871.47983594 a.u.
Virial Ratio = -2.00003343