(1s 2 2s 2 2p 4 4d 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 2.338596 | 1.24389917 |
| 2 | 4d | 2.027348 | -1.79253544 |
| 3 | 3d | 6.963113 | .04011814 |
| 4 | 4d | 5.013012 | .04250474 |
| 5 | 5d | 23.797627 | -.00010603 |
| ORB.ENERGY,a.u. | -2.076900 | ||
| NORM | 1.000000 | < R > | 2.500575 | < R2 > | 7.183759 | < 1/R > | .537567 | < 1/R**2 > | .489818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.572195 | 1.14756124 |
| 2 | 3p | 6.351090 | -.22580428 |
| 3 | 2p | 12.092069 | .07438118 |
| 4 | 4p | 14.257288 | .01280199 |
| 5 | 5p | 38.936637 | -.00013006 |
| 6 | 5p | 3.825260 | -.00056768 |
| ORB.ENERGY,a.u. | -13.296000 | ||
| NORM | 1.000000 | < R > | .405129 | < R2 > | .201056 | < 1/R > | 3.163865 | < 1/R**2 > | 13.760591 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766021 | .39617493 |
| 2 | 2s | 6.771636 | -.85130756 |
| 3 | 3s | 6.205277 | -.29964105 |
| 4 | 4s | 17.753570 | .00736094 |
| 5 | 3s | 19.744850 | .00689668 |
| 6 | 5s | 35.023374 | .00058087 |
| 7 | 5s | 5.115289 | -.00276641 |
| 8 | 4s | 3.544075 | .00092497 |
| 9 | 2s | 90.195855 | .00000533 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452767 | < R2 > | .241354 | < 1/R > | 3.231272 | < 1/R**2 > | 42.670740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164961 | .91811808 |
| 2 | 1s | 22.010416 | .07851867 |
| 3 | 2s | 9.675123 | .01987002 |
| 4 | 3s | 11.854613 | -.01990013 |
| 5 | 4s | 14.424159 | .00893413 |
| 6 | 5s | 38.918280 | .00083225 |
| 7 | 4s | 94.654824 | -.00002784 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096881 | < R2 > | .012600 | < 1/R > | 15.593667 | < 1/R**2 > | 490.128659 |
Total Energy= -367.34559581 a.u.
Kinetic Energy= 367.33882308 a.u.
Potential Energy= -734.68441889 a.u.
Virial Ratio = -2.00001844