(1s 1 3s 1 ) 1 S N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 3.330158 | .24825242 |
| 2 | 2s | 2.437889 | -1.03738913 |
| 3 | 3s | 2.019782 | 1.97176551 |
| 4 | 4s | 4.295965 | -.32892507 |
| 5 | 5s | 3.416258 | -.25936129 |
| 6 | 3s | 5.001496 | -.09674313 |
| 7 | 5s | 8.864543 | -.01019848 |
| 8 | 4s | 1.923785 | .01618733 |
| 9 | 2s | 45.665059 | .00000388 |
| ORB.ENERGY,a.u. | -2.095400 | ||
| NORM | 1.000000 | < R > | 2.160470 | < R2 > | 5.298910 | < 1/R > | .609345 | < 1/R**2 > | 1.038491 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .772675 | .25206101 |
| 2 | 1s | 6.985857 | 1.06704490 |
| 3 | 2s | 2.609500 | -.15869357 |
| 4 | 3s | 1.189934 | -.11419222 |
| 5 | 3s | 3.801610 | -.01016558 |
| 6 | 1s | 6.709742 | -.06692298 |
| 7 | 4s | 2.208256 | .03192881 |
| 8 | 5s | 1.016447 | -.00920373 |
| 9 | 5s | 9.677247 | -.00100188 |
| ORB.ENERGY,a.u. | -23.873000 |
| NORM | 1.000000 | < R > | .219771 | < R2 > | .086455 | < 1/R > | 7.070764 | < 1/R**2 > | 99.727220 |
Total Energy= -26.59276581 a.u.
Kinetic Energy= 26.57827585 a.u.
Potential Energy= -53.17104165 a.u.
Virial Ratio = -2.00054518