(1s 2 2s 2 2p 4 3p 1 ) 4 S Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 3.608383 | .25197470 |
| 2 | 3p | 1.550850 | -.80453001 |
| 3 | 4p | 2.152988 | -.25239802 |
| 4 | 2p | 7.029223 | .07328638 |
| 5 | 5p | 10.077711 | .00535439 |
| 6 | 5p | 26.563523 | -.00049128 |
| 7 | 4p | 39.809805 | -.00009718 |
| 8 | 5p | 1.414550 | .00691087 |
| ORB.ENERGY,a.u. | -1.220300 | ||
| NORM | 1.000000 | < R > | 2.261654 | < R2 > | 5.824015 | < 1/R > | .576257 | < 1/R**2 > | .708394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.154105 | .07201035 |
| 2 | 4p | 10.608343 | .01775388 |
| 3 | 2p | 3.646853 | 1.27967294 |
| 4 | 3p | 4.306442 | -.35852815 |
| 5 | 5p | 64.851872 | .00000285 |
| 6 | 5p | 1.624064 | -.00065543 |
| 7 | 3p | 31.699448 | .00003717 |
| ORB.ENERGY,a.u. | -4.510000 | ||
| NORM | 1.000000 | < R > | .603995 | < R2 > | .451905 | < 1/R > | 2.150532 | < 1/R**2 > | 6.456745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.831142 | .34874075 |
| 2 | 2s | 4.728087 | -.83227812 |
| 3 | 3s | 4.091479 | -.29485417 |
| 4 | 4s | 14.798491 | .00994479 |
| 5 | 3s | 16.345146 | .00497349 |
| 6 | 5s | 29.491127 | .00046339 |
| 7 | 5s | 3.384972 | -.00359236 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .650428 | < R2 > | .501542 | < 1/R > | 2.233736 | < 1/R**2 > | 20.475539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247192 | .91811978 |
| 2 | 1s | 16.944503 | .07950306 |
| 3 | 2s | 6.720997 | .01839349 |
| 4 | 3s | 8.386862 | -.01839410 |
| 5 | 4s | 10.483092 | .00944896 |
| 6 | 5s | 28.600252 | .00100356 |
| 7 | 4s | 64.587870 | -.00004792 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130371 | < R2 > | .022856 | < 1/R > | 11.609763 | < 1/R**2 > | 272.266656 |
Total Energy= -193.22376958 a.u.
Kinetic Energy= 193.20290414 a.u.
Potential Energy= -386.42667372 a.u.
Virial Ratio = -2.00010800