(1s 2 2s 2 2p 2 4s 1 ) 4 P P 8+
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 | 11.932057 | .11654964 |
| 2 | 2s | 3.238542 | -1.35743860 |
| 3 | 3s | 2.879804 | 3.46766002 |
| 4 | 4s | 2.481072 | -2.55990317 |
| 5 | 5s | 4.050008 | -.24623343 |
| 6 | 4s | 11.876038 | -.01763369 |
| 7 | 5s | 32.580443 | .00021610 |
| 8 | 5s | 1.973541 | -.00918315 |
| ORB.ENERGY,a.u. | -2.997600 | ||
| NORM | 1.000000 | < R > | 2.266081 | < R2 > | 5.768080 | < 1/R > | .636906 | < 1/R**2 > | 3.275897 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 14.518670 | .01968629 |
| 2 | 4p | 16.650182 | .00487144 |
| 3 | 5p | 27.802782 | -.00060156 |
| 4 | 5p | 3.020566 | -.00024954 |
| 5 | 4p | 82.210332 | .00001041 |
| 6 | 2p | 5.807499 | 1.15654419 |
| 7 | 3p | 6.842124 | -.17897096 |
| ORB.ENERGY,a.u. | -15.051000 | ||
| NORM | 1.000000 | < R > | .409810 | < R2 > | .204029 | < 1/R > | 3.097751 | < 1/R**2 > | 13.051584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.615973 | .42795269 |
| 2 | 2s | 6.575181 | -.89563691 |
| 3 | 3s | 6.148694 | -.29130582 |
| 4 | 4s | 25.709533 | .00216508 |
| 5 | 3s | 13.140798 | .02767633 |
| 6 | 5s | 3.945838 | -.00931846 |
| 7 | 4s | 2.837942 | .00781124 |
| 8 | 3s | 1.918470 | .00321276 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467520 | < R2 > | .256342 | < 1/R > | 3.132013 | < 1/R**2 > | 39.837050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.106492 | .91957672 |
| 2 | 1s | 21.308271 | .08005793 |
| 3 | 2s | 12.269557 | .01963386 |
| 4 | 3s | 15.784835 | -.01627205 |
| 5 | 5s | 35.303670 | .00081904 |
| 6 | 4s | 78.494507 | -.00004816 |
| 7 | 5s | 5.752892 | .00032295 |
| 8 | 3s | 1.630259 | -.00032486 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103185 | < R2 > | .014276 | < 1/R > | 14.628418 | < 1/R**2 > | 431.098115 |
Total Energy= -294.67704215 a.u.
Kinetic Energy= 294.68753602 a.u.
Potential Energy= -589.36457817 a.u.
Virial Ratio = -1.99996439