(1s 2 2s 2 2p 4 4d 1 ) 2 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 1.125487 | 1.45319165 |
| 2 | 4d | .999001 | -1.94848479 |
| 3 | 3d | 5.123769 | .01005276 |
| 4 | 4d | 3.060126 | .01217466 |
| 5 | 5d | 11.398472 | -.00018340 |
| ORB.ENERGY,a.u. | -.507100 | ||
| NORM | 1.000001 | < R > | 5.156725 | < R2 > | 30.464916 | < 1/R > | .257277 | < 1/R**2 > | .108933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.658468 | 1.28507888 |
| 2 | 3p | 4.348464 | -.35966861 |
| 3 | 2p | 9.269486 | .06865344 |
| 4 | 4p | 10.641252 | .01890286 |
| 5 | 5p | 24.983073 | .00018297 |
| 6 | 5p | 2.526022 | .00116045 |
| 7 | 4p | 43.468908 | .00005230 |
| 8 | 4p | 3.219942 | -.00374182 |
| ORB.ENERGY,a.u. | -4.807400 | ||
| NORM | 1.000000 | < R > | .603392 | < R2 > | .451001 | < 1/R > | 2.152495 | < 1/R**2 > | 6.467621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.821384 | .35004888 |
| 2 | 2s | 4.737611 | -.83377524 |
| 3 | 3s | 4.096347 | -.29519391 |
| 4 | 4s | 14.723721 | .01011734 |
| 5 | 3s | 16.337823 | .00507934 |
| 6 | 5s | 29.132261 | .00049735 |
| 7 | 5s | 3.662650 | -.00167901 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648871 | < R2 > | .498840 | < 1/R > | 2.238807 | < 1/R**2 > | 20.561073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829166 |
| 2 | 1s | 16.927562 | .07951453 |
| 3 | 2s | 6.353676 | .01948915 |
| 4 | 3s | 7.906052 | -.02014225 |
| 5 | 4s | 10.063392 | .00977117 |
| 6 | 5s | 28.420943 | .00098332 |
| 7 | 4s | 64.427989 | -.00005231 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610968 | < 1/R**2 > | 272.310563 |
Total Energy= -192.50071735 a.u.
Kinetic Energy= 192.49005651 a.u.
Potential Energy= -384.99077386 a.u.
Virial Ratio = -2.00005538