(1s 2 2s 2 2p 6 3s 2 3p 5 3d 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | .391774 | 1.36797334 |
| 2 | 4d | .471915 | -.47225049 |
| 3 | 3d | 1.466901 | .85308127 |
| 4 | 4d | 1.840748 | -.96170340 |
| 5 | 5d | 2.220026 | .31894865 |
| 6 | 3d | 6.876837 | .00522031 |
| 7 | 4d | 17.975146 | .00009642 |
| 8 | 5d | .433829 | .01633812 |
| 9 | 5d | 66.317204 | .00000393 |
| ORB.ENERGY,a.u. | -.064017 | ||
| NORM | 1.000000 | < R > | 7.807314 | < R2 > | 75.221944 | < 1/R > | .177598 | < 1/R**2 > | .054608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 9.797101 | -.05814276 |
| 2 | 4p | 27.775705 | -.00081184 |
| 3 | 4p | 1.347612 | -.02612996 |
| 4 | 5p | 58.256142 | -.00003353 |
| 5 | 3p | 1.281332 | .01560955 |
| 6 | 3p | 44.929891 | -.00006472 |
| 7 | 2p | 5.159384 | .29374212 |
| 8 | 2p | 1.645419 | -.93324038 |
| 9 | 3p | 3.203811 | -.18012743 |
| 10 | 2p | 7.957112 | .18242880 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.565524 | < R2 > | 2.891864 | < 1/R > | .860242 | < 1/R**2 > | 1.641556 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286211 | .81144321 |
| 2 | 1s | 10.258765 | .17075436 |
| 3 | 2s | 5.408388 | -.67666475 |
| 4 | 3s | 2.827044 | .44994481 |
| 5 | 4s | 5.540253 | .05940411 |
| 6 | 2s | 10.385002 | -.15226051 |
| 7 | 2s | 16.734483 | -.00917229 |
| 8 | 5s | 1.817597 | -.04777961 |
| 9 | 4s | 31.172305 | .00061963 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.383531 | < R2 > | 2.210252 | < 1/R > | .987526 | < 1/R**2 > | 5.711860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929023 | .47320829 |
| 2 | 3p | 8.056912 | .47284974 |
| 3 | 4p | 6.733909 | .14360471 |
| 4 | 5p | 5.309680 | .01111190 |
| 5 | 2p | 20.936346 | .00547045 |
| 6 | 5p | 15.953356 | -.00568005 |
| 7 | 3p | 43.996286 | .00005573 |
| 8 | 3p | 2.041111 | .00180764 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375572 | < R2 > | .174675 | < 1/R > | 3.448955 | < 1/R**2 > | 16.518732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343738 | .38923143 |
| 2 | 2s | 7.634544 | -.82052944 |
| 3 | 3s | 6.808699 | -.29464840 |
| 4 | 4s | 30.810417 | .00337605 |
| 5 | 3s | 14.442620 | .01383607 |
| 6 | 2s | 4.008650 | -.04578344 |
| 7 | 5s | 2.982812 | -.00537997 |
| 8 | 5s | 41.278864 | -.00056264 |
| 9 | 2s | 113.223252 | -.00000261 |
| 10 | 4s | 2.698643 | .00611620 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412072 | < R2 > | .200992 | < 1/R > | 3.556997 | < 1/R**2 > | 52.024324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580427 | 1.00987051 |
| 2 | 2s | 22.429343 | -.01729917 |
| 3 | 3s | 14.908902 | .01755648 |
| 4 | 4s | 51.040774 | -.00050583 |
| 5 | 4s | 12.556551 | .00288689 |
| 6 | 5s | 60.232657 | .00012318 |
| 7 | 5s | 15.992080 | -.00410154 |
| 8 | 2s | 34.416418 | -.00228294 |
| 9 | 2s | 84.923676 | .00004485 |
| 10 | 5s | 3.951268 | -.00003433 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553579 | < 1/R**2 > | 621.144496 |
Total Energy= -526.33080635 a.u.
Kinetic Energy= 526.33868223 a.u.
Potential Energy= -1052.66948858 a.u.
Virial Ratio = -1.99998504