(1s 2 2s 2 2p 5 4d 1 ) 1 F Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 2.367449 | 1.22388574 |
| 2 | 4d | 2.026604 | -1.76145434 |
| 3 | 3d | 7.529496 | .03324822 |
| 4 | 4d | 5.324244 | .04115340 |
| 5 | 5d | 24.988040 | -.00006637 |
| ORB.ENERGY,a.u. | -2.080300 | ||
| NORM | 1.000000 | < R > | 2.497686 | < R2 > | 7.167418 | < 1/R > | .538189 | < 1/R**2 > | .491164 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.870937 | 1.18852031 |
| 2 | 3p | 6.917801 | -.25617336 |
| 3 | 2p | 13.102411 | .06589113 |
| 4 | 4p | 15.861113 | .01063596 |
| 5 | 4p | 3.508658 | .00091232 |
| 6 | 5p | 3.074751 | -.00050240 |
| 7 | 4p | 67.608174 | .00002085 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .387272 | < R2 > | .184345 | < 1/R > | 3.322358 | < 1/R**2 > | 15.234788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.605154 | .39173513 |
| 2 | 2s | 7.171449 | -.84279828 |
| 3 | 3s | 6.475720 | -.30532272 |
| 4 | 4s | 18.446780 | .00509565 |
| 5 | 3s | 20.435955 | .00678595 |
| 6 | 5s | 36.061515 | .00056440 |
| 7 | 5s | 5.666278 | -.00365490 |
| 8 | 4s | 4.237422 | .00144572 |
| 9 | 3s | 3.753187 | -.00026412 |
| 10 | 2s | 89.127732 | .00000727 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429657 | < R2 > | .217671 | < 1/R > | 3.406896 | < 1/R**2 > | 47.548983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695751 |
| 2 | 1s | 23.720097 | .06885283 |
| 3 | 2s | 10.144920 | .02129991 |
| 4 | 3s | 12.570076 | -.02159239 |
| 5 | 4s | 15.577810 | .01061047 |
| 6 | 5s | 40.747952 | .00070518 |
| 7 | 4s | 92.357530 | -.00003443 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091150 | < R2 > | .011156 | < 1/R > | 16.576461 | < 1/R**2 > | 553.850465 |
Total Energy= -434.09333812 a.u.
Kinetic Energy= 434.08597521 a.u.
Potential Energy= -868.17931333 a.u.
Virial Ratio = -2.00001696