(1s 2 2s 2 2p 4 5d 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.061731 | 1.32432010 |
| 2 | 4d | .819324 | -5.14837366 |
| 3 | 5d | .809963 | 4.55122716 |
| 4 | 3d | 2.566108 | .06806810 |
| 5 | 5d | 3.806198 | -.01820812 |
| 6 | 4d | 7.048469 | .00506485 |
| 7 | 5d | 11.636063 | .00016392 |
| 8 | 3d | 9.666187 | .00103803 |
| ORB.ENERGY,a.u. | -.328880 | ||
| NORM | .999995 | < R > | 8.337936 | < R2 > | 79.169401 | < 1/R > | .170624 | < 1/R**2 > | .064215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.681445 | 1.26464230 |
| 2 | 3p | 4.379506 | -.34106394 |
| 3 | 2p | 9.190914 | .07009254 |
| 4 | 4p | 10.551068 | .01797652 |
| 5 | 5p | 3.082268 | .00103558 |
| 6 | 5p | 64.639103 | .00001469 |
| ORB.ENERGY,a.u. | -4.929900 | ||
| NORM | 1.000000 | < R > | .603699 | < R2 > | .451547 | < 1/R > | 2.151771 | < 1/R**2 > | 6.464157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.827845 | .34976838 |
| 2 | 2s | 4.734475 | -.83261305 |
| 3 | 3s | 4.112480 | -.29415672 |
| 4 | 4s | 14.910224 | .00969259 |
| 5 | 3s | 16.212250 | .00505403 |
| 6 | 5s | 30.023962 | .00041540 |
| 7 | 5s | 3.996729 | -.00309810 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648715 | < R2 > | .498555 | < 1/R > | 2.239254 | < 1/R**2 > | 20.568283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829312 |
| 2 | 1s | 16.927963 | .07951278 |
| 3 | 2s | 6.354954 | .01948314 |
| 4 | 3s | 7.908715 | -.02013498 |
| 5 | 4s | 10.066355 | .00976576 |
| 6 | 5s | 28.439488 | .00098562 |
| 7 | 4s | 64.453390 | -.00005130 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.611006 | < 1/R**2 > | 272.311934 |
Total Energy= -192.31381866 a.u.
Kinetic Energy= 192.31183706 a.u.
Potential Energy= -384.62565572 a.u.
Virial Ratio = -2.00001030