(1s 2 2s 2 2p 3 5s 1 ) 5 S S 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 12.616652 | .07856287 |
| 2 | 2s | 4.498305 | -.48174773 |
| 3 | 3s | 2.486423 | 2.75612952 |
| 4 | 4s | 2.176612 | -5.36899500 |
| 5 | 5s | 1.940972 | 3.58972545 |
| 6 | 4s | 12.743682 | -.00956095 |
| 7 | 5s | 34.813050 | .00017755 |
| ORB.ENERGY,a.u. | -1.887300 | ||
| NORM | 1.000001 | < R > | 3.591226 | < R2 > | 14.431457 | < 1/R > | .403738 | < 1/R**2 > | 1.658166 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.251753 | 1.30229266 |
| 2 | 3p | 7.961911 | -.36986223 |
| 3 | 4p | 9.748968 | .06510697 |
| 4 | 5p | 35.113304 | -.00024967 |
| 5 | 4p | 3.341227 | .01299869 |
| 6 | 3p | 18.318219 | -.00369131 |
| 7 | 5p | 3.719242 | -.01040570 |
| ORB.ENERGY,a.u. | -16.117000 | ||
| NORM | 1.000000 | < R > | .389799 | < R2 > | .185038 | < 1/R > | 3.265988 | < 1/R**2 > | 14.553615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.865455 | .35820628 |
| 2 | 2s | 5.918938 | -.80326338 |
| 3 | 3s | 9.144075 | -.24911241 |
| 4 | 4s | 24.750829 | .00345008 |
| 5 | 5s | 8.827428 | -.03982057 |
| 6 | 4s | 1.505208 | .09233429 |
| 7 | 5s | 1.742381 | -.05765117 |
| 8 | 3s | 24.366310 | .00113762 |
| 9 | 3s | 1.241964 | -.03644894 |
| ORB.ENERGY,a.u. | -15.605000 | ||
| NORM | 1.000000 | < R > | .442877 | < R2 > | .230410 | < 1/R > | 3.306895 | < 1/R**2 > | 44.535517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.177800 | .93588813 |
| 2 | 1s | 23.411693 | .06215819 |
| 3 | 2s | 13.063731 | .01863311 |
| 4 | 3s | 18.545061 | -.01506315 |
| 5 | 4s | 27.679105 | .00286065 |
| 6 | 5s | 51.019691 | .00021476 |
| 7 | 5s | 9.839412 | .00021444 |
| 8 | 4s | 2.195001 | -.00246083 |
| 9 | 3s | 1.637481 | .00249599 |
| ORB.ENERGY,a.u. | -100.270000 |
| NORM | 1.000000 | < R > | .096733 | < R2 > | .012553 | < 1/R > | 15.608746 | < 1/R**2 > | 490.860195 |
Total Energy= -353.28121107 a.u.
Kinetic Energy= 353.28847296 a.u.
Potential Energy= -706.56968403 a.u.
Virial Ratio = -1.99997944