(1s 2 2s 2 2p 4 4s 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 12.439281 | .09077524 |
| 2 | 2s | 2.730899 | -1.44528660 |
| 3 | 3s | 2.851793 | 2.70101735 |
| 4 | 4s | 1.948064 | -1.69072939 |
| 5 | 5s | 4.268573 | -.22400987 |
| 6 | 4s | 12.700181 | -.01654365 |
| 7 | 5s | 30.237670 | -.00037587 |
| 8 | 5s | 1.685454 | .04918511 |
| 9 | 4s | 47.101039 | -.00011361 |
| 10 | 4s | .917762 | -.00169282 |
| ORB.ENERGY,a.u. | -1.986000 | ||
| NORM | .999999 | < R > | 2.663834 | < R2 > | 7.971014 | < 1/R > | .533420 | < 1/R**2 > | 2.300252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.138096 | 1.17816593 |
| 2 | 3p | 5.976543 | -.24772340 |
| 3 | 2p | 11.592750 | .06590496 |
| 4 | 4p | 13.540198 | .01263137 |
| 5 | 5p | 34.934231 | -.00011779 |
| 6 | 5p | 2.237180 | -.00017688 |
| ORB.ENERGY,a.u. | -10.813000 | ||
| NORM | 1.000000 | < R > | .441281 | < R2 > | .238996 | < 1/R > | 2.911269 | < 1/R**2 > | 11.682486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.223728 | .33538852 |
| 2 | 2s | 5.277665 | -.77465791 |
| 3 | 3s | 8.382652 | -.23888352 |
| 4 | 4s | 6.710748 | -.05573531 |
| 5 | 5s | 17.627697 | -.00913307 |
| 6 | 4s | 1.927542 | .01811893 |
| 7 | 3s | 1.680111 | -.01620306 |
| 8 | 3s | 52.668611 | -.00006451 |
| 9 | 4s | 104.592372 | .00000732 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489943 | < R2 > | .282987 | < 1/R > | 2.981821 | < 1/R**2 > | 36.373611 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204982 | .92338846 |
| 2 | 1s | 20.862103 | .07401200 |
| 3 | 2s | 7.573662 | .02260283 |
| 4 | 3s | 9.410471 | -.02427795 |
| 5 | 4s | 12.170256 | .01007848 |
| 6 | 5s | 35.891086 | .00066647 |
| 7 | 3s | 52.580551 | -.00011007 |
| 8 | 5s | 1.681640 | -.00021159 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103535 | < R2 > | .014395 | < 1/R > | 14.597115 | < 1/R**2 > | 429.673013 |
Total Energy= -318.66222521 a.u.
Kinetic Energy= 318.67047292 a.u.
Potential Energy= -637.33269813 a.u.
Virial Ratio = -1.99997412