(1s 2 2s 2 2p 1 4p 1 ) 3 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3041.
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 | 5.421167 | .25678263 |
| 2 | 3p | 1.796258 | -.56848347 |
| 3 | 5p | 2.061578 | 1.19059301 |
| 4 | 4p | 3.001694 | -.59717515 |
| 5 | 5p | 6.707085 | .02832659 |
| 6 | 4p | 16.232875 | -.00303055 |
| 7 | 5p | 1.844069 | .40574343 |
| 8 | 5p | 35.797589 | -.00033478 |
| 9 | 4p | 55.278053 | -.00006752 |
| ORB.ENERGY,a.u. | -1.696700 | ||
| NORM | 1.000000 | < R > | 2.966364 | < R2 > | 9.948743 | < 1/R > | .475369 | < 1/R**2 > | .633347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.680135 | 1.08262879 |
| 2 | 3p | 5.768662 | -.10821641 |
| 3 | 5p | 80.051669 | -.00000955 |
| 4 | 2p | 11.045603 | .02236450 |
| 5 | 5p | 12.919823 | .00491642 |
| 6 | 4p | 25.268006 | -.00052861 |
| 7 | 5p | 4.735004 | .00879645 |
| 8 | 4p | 2.975106 | -.00140362 |
| ORB.ENERGY,a.u. | -9.325100 | ||
| NORM | 1.000000 | < R > | .521321 | < R2 > | .329945 | < 1/R > | 2.433556 | < 1/R**2 > | 8.051994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.523363 | .34694977 |
| 2 | 2s | 4.282436 | -.79664780 |
| 3 | 3s | 6.411622 | -.27787350 |
| 4 | 4s | 22.435732 | .00171129 |
| 5 | 5s | 12.520316 | -.01334978 |
| 6 | 5s | 4.768239 | .01748183 |
| 7 | 4s | 1.978842 | .00032398 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592852 | < R2 > | .411903 | < 1/R > | 2.458735 | < 1/R**2 > | 24.488400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194122 | .92264410 |
| 2 | 1s | 17.381246 | .07926048 |
| 3 | 2s | 9.728669 | .01718888 |
| 4 | 3s | 12.446410 | -.01618964 |
| 5 | 4s | 60.062448 | -.00007339 |
| 6 | 5s | 27.668778 | .00097036 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129643 | < R2 > | .022541 | < 1/R > | 11.650459 | < 1/R**2 > | 273.735205 |
Total Energy= -173.42701940 a.u.
Kinetic Energy= 173.42875661 a.u.
Potential Energy= -346.85577601 a.u.
Virial Ratio = -1.99998998