(1s 2 2s 2 2p 2 3p 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 2.151363 | 1.21259805 |
| 2 | 3p | 2.254839 | -1.89259467 |
| 3 | 2p | 7.990576 | .05202504 |
| 4 | 4p | 3.617879 | -.12316022 |
| 5 | 5p | 13.847423 | .00249868 |
| 6 | 4p | 5.433656 | -.03943252 |
| 7 | 5p | 2.150663 | -.01332845 |
| 8 | 4p | 31.352007 | -.00005767 |
| ORB.ENERGY,a.u. | -2.366100 | ||
| NORM | 1.000000 | < R > | 1.794600 | < R2 > | 3.608308 | < 1/R > | .690299 | < 1/R**2 > | .873005 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.520709 | 1.33642509 |
| 2 | 3p | 6.080284 | -.41693541 |
| 3 | 2p | .957105 | -.11090043 |
| 4 | 4p | 7.718329 | .09858578 |
| 5 | 5p | 14.881310 | .00469916 |
| 6 | 5p | 1.720550 | .05119566 |
| 7 | 3p | 17.793324 | -.00023857 |
| 8 | 4p | .940426 | .03260668 |
| 9 | 4p | .841171 | -.01375685 |
| ORB.ENERGY,a.u. | -7.419600 | ||
| NORM | 1.000000 | < R > | .531488 | < R2 > | .341932 | < 1/R > | 2.379932 | < 1/R**2 > | 7.701196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.768736 | .37481747 |
| 2 | 2s | 4.898899 | -.83348897 |
| 3 | 3s | 5.003113 | -.27181220 |
| 4 | 4s | 19.434961 | .00261274 |
| 5 | 3s | 11.795609 | .01643032 |
| 6 | 5s | 4.864569 | -.03460614 |
| 7 | 5s | 2.967017 | -.00056025 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612445 | < R2 > | .441204 | < 1/R > | 2.376309 | < 1/R**2 > | 22.984148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154151 | .91201651 |
| 2 | 1s | 17.195087 | .08792429 |
| 3 | 2s | 10.288562 | .01906880 |
| 4 | 3s | 13.107802 | -.01554469 |
| 5 | 5s | 28.345181 | .00116959 |
| 6 | 4s | 67.624223 | -.00004428 |
| 7 | 5s | 9.505283 | .00069713 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129961 | < R2 > | .022677 | < 1/R > | 11.632371 | < 1/R**2 > | 273.078946 |
Total Energy= -182.42539878 a.u.
Kinetic Energy= 182.36494258 a.u.
Potential Energy= -364.79034136 a.u.
Virial Ratio = -2.00033151