(1s 2 2s 2 2p 5 4d 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 2.413723 | 1.14089263 |
| 2 | 4d | 2.043414 | -1.70262154 |
| 3 | 3d | 7.100707 | .04439247 |
| 4 | 4d | 5.109684 | .05364214 |
| 5 | 5d | 20.339505 | .00001114 |
| 6 | 4d | 45.448377 | .00001268 |
| ORB.ENERGY,a.u. | -2.107400 | ||
| NORM | .999999 | < R > | 2.462391 | < R2 > | 6.967918 | < 1/R > | .547104 | < 1/R**2 > | .511170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.871839 | 1.18783510 |
| 2 | 3p | 6.925914 | -.25541293 |
| 3 | 2p | 13.098486 | .06589769 |
| 4 | 4p | 15.845520 | .01067396 |
| 5 | 5p | 3.064089 | -.00045846 |
| 6 | 4p | 3.592936 | .00084147 |
| 7 | 4p | 67.848851 | .00002059 |
| ORB.ENERGY,a.u. | -14.119000 | ||
| NORM | 1.000000 | < R > | .387386 | < R2 > | .184457 | < 1/R > | 3.321545 | < 1/R**2 > | 15.228252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.605141 | .39172410 |
| 2 | 2s | 7.171289 | -.84279107 |
| 3 | 3s | 6.474756 | -.30530749 |
| 4 | 4s | 18.474664 | .00506725 |
| 5 | 3s | 20.432739 | .00677246 |
| 6 | 5s | 36.095256 | .00056299 |
| 7 | 5s | 5.680918 | -.00358922 |
| 8 | 4s | 4.242842 | .00138780 |
| 9 | 3s | 3.803607 | -.00025265 |
| 10 | 2s | 89.545423 | .00000714 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429669 | < R2 > | .217683 | < 1/R > | 3.406800 | < 1/R**2 > | 47.546362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695908 |
| 2 | 1s | 23.720676 | .06885127 |
| 3 | 2s | 10.146454 | .02129621 |
| 4 | 3s | 12.571015 | -.02159082 |
| 5 | 4s | 15.577618 | .01061031 |
| 6 | 5s | 40.795923 | .00070562 |
| 7 | 4s | 92.200449 | -.00003385 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091150 | < R2 > | .011156 | < 1/R > | 16.576512 | < 1/R**2 > | 553.853192 |
Total Energy= -434.09304513 a.u.
Kinetic Energy= 434.11312259 a.u.
Potential Energy= -868.20616772 a.u.
Virial Ratio = -1.99995375