(1s 2 2s 2 2p 1 4p 1 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 4p- electron | |
| 1 | 2p | 4.989981 | .18733845 |
| 2 | 3p | 2.063582 | -.88030833 |
| 3 | 5p | 2.066212 | 1.29933563 |
| 4 | 4p | 3.056843 | -.30554026 |
| 5 | 5p | 6.106056 | .04863149 |
| 6 | 4p | 13.799732 | -.00348573 |
| 7 | 5p | 1.788426 | .26747455 |
| 8 | 5p | 31.443144 | -.00042310 |
| 9 | 4p | 48.114435 | -.00008080 |
| ORB.ENERGY,a.u. | -1.691100 | ||
| NORM | 1.000001 | < R > | 2.967405 | < R2 > | 9.928009 | < 1/R > | .431669 | < 1/R**2 > | .356448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.713156 | 1.03171540 |
| 2 | 3p | 1.873512 | -.16372756 |
| 3 | 2p | 11.375946 | .02795630 |
| 4 | 5p | 8.575379 | -.02550752 |
| 5 | 5p | 2.130096 | .17346134 |
| 6 | 4p | 14.822862 | .00124251 |
| 7 | 4p | 1.496408 | .04831989 |
| 8 | 5p | 28.300864 | -.00027614 |
| 9 | 3p | 1.064842 | -.00898058 |
| ORB.ENERGY,a.u. | -9.319500 | ||
| NORM | 1.000000 | < R > | .529237 | < R2 > | .406771 | < 1/R > | 2.476000 | < 1/R**2 > | 8.323744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524003 | .34692818 |
| 2 | 2s | 4.280709 | -.79714704 |
| 3 | 3s | 6.413013 | -.27767054 |
| 4 | 4s | 22.443365 | .00170554 |
| 5 | 5s | 12.524052 | -.01335194 |
| 6 | 5s | 4.783049 | .01790313 |
| 7 | 4s | 2.016785 | .00034430 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592836 | < R2 > | .411879 | < 1/R > | 2.458803 | < 1/R**2 > | 24.489700 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194198 | .92264203 |
| 2 | 1s | 17.380383 | .07926335 |
| 3 | 2s | 9.724699 | .01718769 |
| 4 | 3s | 12.445123 | -.01619032 |
| 5 | 4s | 60.133157 | -.00007318 |
| 6 | 5s | 27.666953 | .00097283 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129643 | < R2 > | .022541 | < 1/R > | 11.650474 | < 1/R**2 > | 273.735834 |
Total Energy= -173.43698057 a.u.
Kinetic Energy= 173.42319037 a.u.
Potential Energy= -346.86017093 a.u.
Virial Ratio = -2.00007952