(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 1.313769 | 1.07727442 |
| 2 | 4d | 1.422400 | -.58558313 |
| 3 | 3d | 2.607377 | .93965399 |
| 4 | 4d | 3.171435 | -.50341964 |
| 5 | 5d | 3.653522 | .07579840 |
| 6 | 3d | 8.158253 | .01705781 |
| 7 | 4d | 60.799937 | .00000335 |
| ORB.ENERGY,a.u. | -1.439100 | ||
| NORM | 1.000000 | < R > | 1.685011 | < R2 > | 3.398347 | < 1/R > | .735577 | < 1/R**2 > | .703143 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.271936 | .42621037 |
| 2 | 2p | 1.970759 | -.85024971 |
| 3 | 3p | 2.861793 | -.35972582 |
| 4 | 2p | 10.425808 | .08929186 |
| 5 | 4p | 4.045669 | .05153883 |
| 6 | 3p | 17.903567 | -.00220056 |
| 7 | 5p | 1.986795 | .00686926 |
| 8 | 5p | 48.457864 | -.00004384 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.386322 | < R2 > | 2.221426 | < 1/R > | .966833 | < 1/R**2 > | 2.052203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.093957 | -.39355267 |
| 2 | 1s | 13.027126 | .20005542 |
| 3 | 1s | 72.049745 | .00006146 |
| 4 | 2s | 6.360348 | -.21834553 |
| 5 | 3s | 2.905077 | 1.01197564 |
| 6 | 4s | 5.081690 | .18018701 |
| 7 | 3s | 39.941738 | -.00051237 |
| 8 | 5s | 2.678738 | .06536205 |
| 9 | 2s | .490423 | -.00008896 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.297547 | < R2 > | 1.923794 | < 1/R > | 1.054358 | < 1/R**2 > | 6.543182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.944911 | -.02005801 |
| 2 | 2p | 3.755723 | .06587233 |
| 3 | 2p | 15.935242 | .15458981 |
| 4 | 3p | 12.497982 | .42317310 |
| 5 | 4p | 9.797966 | .39692992 |
| 6 | 5p | 7.867565 | .12849689 |
| 7 | 5p | 17.666380 | -.00500620 |
| 8 | 3p | 44.834124 | .00005725 |
| 9 | 3p | 2.200192 | .01332110 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374643 | < R2 > | .173685 | < 1/R > | 3.455706 | < 1/R**2 > | 16.576106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.436789 | .38651479 |
| 2 | 2s | 7.561026 | -.82642134 |
| 3 | 3s | 6.828536 | -.28582829 |
| 4 | 4s | 30.520238 | .00179190 |
| 5 | 3s | 17.170065 | .00833595 |
| 6 | 2s | 3.141170 | -.05214178 |
| 7 | 4s | 3.821831 | .01948122 |
| 8 | 5s | 2.922880 | -.00145519 |
| 9 | 4s | 1.992214 | .00112632 |
| 10 | 3s | 1.327101 | -.00037359 |
| 11 | 5s | 79.009486 | .00001058 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410902 | < R2 > | .199712 | < 1/R > | 3.566747 | < 1/R**2 > | 52.284826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.573108 | 1.01063832 |
| 2 | 2s | 23.202500 | -.01613519 |
| 3 | 3s | 14.070656 | .01749272 |
| 4 | 4s | 35.469420 | -.00051475 |
| 5 | 4s | 11.821650 | .00191272 |
| 6 | 5s | 44.511991 | .00039418 |
| 7 | 5s | 15.707538 | -.00471815 |
| 8 | 2s | 30.315770 | -.00325422 |
| 9 | 2s | 68.318350 | .00008481 |
| 10 | 5s | 3.588334 | -.00001005 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086081 | < R2 > | .009953 | < 1/R > | 17.556258 | < 1/R**2 > | 621.292151 |
Total Energy= -522.94009371 a.u.
Kinetic Energy= 522.94591192 a.u.
Potential Energy= -1045.88600563 a.u.
Virial Ratio = -1.99998887