(1s 2 2s 2 2p 1 5d 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | 1.804726 | 1.46952459 |
| 2 | 4d | 1.513292 | -4.23536723 |
| 3 | 5d | 1.393975 | 3.45894583 |
| 4 | 3d | 4.388651 | .04695054 |
| 5 | 5d | 1.110236 | -.02344188 |
| 6 | 5d | 6.408140 | -.00896240 |
| 7 | 4d | 25.691406 | .00005398 |
| 8 | 3d | 47.798986 | .00000230 |
| ORB.ENERGY,a.u. | -1.001700 | ||
| NORM | 1.000000 | < R > | 4.805650 | < R2 > | 26.236411 | < 1/R > | .291144 | < 1/R**2 > | .177845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.674021 | 1.07959530 |
| 2 | 3p | 5.756050 | -.10276115 |
| 3 | 2p | 11.200215 | .02188285 |
| 4 | 5p | 13.853464 | .00375600 |
| 5 | 4p | 24.299520 | -.00044502 |
| 6 | 5p | 5.051895 | .01070763 |
| 7 | 5p | 69.554500 | -.00001044 |
| 8 | 4p | 4.487812 | -.00400677 |
| ORB.ENERGY,a.u. | -9.468400 | ||
| NORM | 1.000000 | < R > | .522312 | < R2 > | .331129 | < 1/R > | 2.428822 | < 1/R**2 > | 8.021964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.531933 | .34693091 |
| 2 | 2s | 4.271822 | -.79871605 |
| 3 | 3s | 6.412467 | -.27692039 |
| 4 | 4s | 22.906852 | .00141903 |
| 5 | 5s | 12.612139 | -.01470544 |
| 6 | 5s | 4.816093 | .02146537 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592189 | < R2 > | .410928 | < 1/R > | 2.461584 | < 1/R**2 > | 24.540442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197196 | .92295131 |
| 2 | 1s | 17.419463 | .07870693 |
| 3 | 2s | 10.069504 | .01688715 |
| 4 | 3s | 12.715506 | -.01583994 |
| 5 | 4s | 63.753247 | -.00005786 |
| 6 | 5s | 27.810134 | .00113724 |
| 7 | 5s | 7.480770 | .00011857 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129620 | < R2 > | .022532 | < 1/R > | 11.651888 | < 1/R**2 > | 273.788408 |
Total Energy= -172.73931676 a.u.
Kinetic Energy= 172.73433283 a.u.
Potential Energy= -345.47364959 a.u.
Virial Ratio = -2.00002885