(1s 2 2s 2 2p 5 4d 1 ) 3 P P 5+
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 | 1.877730 | 1.06274344 |
| 2 | 4d | 1.520076 | -1.61437885 |
| 3 | 3d | 5.924783 | .04025341 |
| 4 | 4d | 4.239788 | .04599263 |
| 5 | 5d | 9.899927 | -.00044518 |
| 6 | 4d | 1.176214 | .01272362 |
| 7 | 4d | 38.085602 | .00001408 |
| ORB.ENERGY,a.u. | -1.187200 | ||
| NORM | 1.000001 | < R > | 3.271911 | < R2 > | 12.319150 | < 1/R > | .413978 | < 1/R**2 > | .296129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.849308 | 1.22842255 |
| 2 | 3p | 5.718854 | -.30783366 |
| 3 | 2p | 11.283290 | .07635868 |
| 4 | 4p | 13.548330 | .01371368 |
| 5 | 5p | 4.463454 | .00074270 |
| 6 | 3p | 41.516648 | .00003667 |
| 7 | 4p | 1.310296 | -.00012433 |
| ORB.ENERGY,a.u. | -9.199000 | ||
| NORM | 1.000000 | < R > | .459628 | < R2 > | .261011 | < 1/R > | 2.816259 | < 1/R**2 > | 11.021830 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.139710 | .37216324 |
| 2 | 2s | 6.145820 | -.83396818 |
| 3 | 3s | 5.428058 | -.30277429 |
| 4 | 4s | 18.650271 | .00411955 |
| 5 | 3s | 17.333531 | .00673529 |
| 6 | 5s | 36.844625 | .00040225 |
| 7 | 5s | 4.930020 | -.00321309 |
| 8 | 4s | 2.885296 | .00030792 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501529 | < R2 > | .297378 | < 1/R > | 2.910696 | < 1/R**2 > | 34.777968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92330349 |
| 2 | 1s | 20.990286 | .07298882 |
| 3 | 2s | 8.546938 | .02100014 |
| 4 | 3s | 10.659904 | -.02129876 |
| 5 | 4s | 13.406507 | .01067260 |
| 6 | 5s | 35.778015 | .00080105 |
| 7 | 4s | 81.214904 | -.00003894 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103670 | < R2 > | .014442 | < 1/R > | 14.585360 | < 1/R**2 > | 429.143378 |
Total Energy= -327.49036962 a.u.
Kinetic Energy= 327.50353790 a.u.
Potential Energy= -654.99390752 a.u.
Virial Ratio = -1.99995979