(1s 2 2s 2 2p 1 3p 1 ) 1 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 3p- electron | |
| 1 | 2p | 6.300070 | .37066612 |
| 2 | 3p | 4.394974 | -1.30579030 |
| 3 | 2p | 18.469486 | .00113633 |
| 4 | 4p | 7.985491 | .09811346 |
| 5 | 5p | 25.802950 | .00049208 |
| 6 | 5p | 3.991315 | .02609806 |
| 7 | 4p | 3.322102 | -.01358487 |
| ORB.ENERGY,a.u. | -10.335000 | ||
| NORM | 1.000000 | < R > | .904564 | < R2 > | .902682 | < 1/R > | 1.251052 | < 1/R**2 > | 2.026208 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.417001 | 1.07320021 |
| 2 | 3p | 4.318461 | -.34787186 |
| 3 | 2p | 12.910801 | .08045590 |
| 4 | 5p | 16.636471 | .00687014 |
| 5 | 4p | 32.325562 | -.00173344 |
| 6 | 5p | 3.657979 | .01023600 |
| 7 | 3p | 41.548746 | -.00027930 |
| 8 | 4p | 2.487154 | -.00587244 |
| 9 | 3p | 1.755856 | .00218244 |
| ORB.ENERGY,a.u. | -26.471000 | ||
| NORM | 1.000000 | < R > | .305701 | < R2 > | .127203 | < 1/R > | 4.216655 | < 1/R**2 > | 23.680693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.389623 | .38864250 |
| 2 | 2s | 7.007423 | -.81590663 |
| 3 | 3s | 10.038759 | -.28649646 |
| 4 | 4s | 33.509992 | .00117976 |
| 5 | 5s | 19.275233 | -.00800644 |
| 6 | 5s | 7.979279 | .01495477 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372785 | < R2 > | .162587 | < 1/R > | 3.949179 | < 1/R**2 > | 63.044076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.197156 | .94013827 |
| 2 | 1s | 26.558368 | .05642839 |
| 3 | 2s | 16.097084 | .01999388 |
| 4 | 3s | 19.768641 | -.01407342 |
| 5 | 4s | 88.046482 | -.00005814 |
| 6 | 5s | 41.153250 | .00066029 |
| 7 | 4s | 4.200741 | -.00002084 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085433 | < R2 > | .009771 | < 1/R > | 17.641025 | < 1/R**2 > | 625.955858 |
Total Energy= -415.53106711 a.u.
Kinetic Energy= 414.95730330 a.u.
Potential Energy= -830.48837041 a.u.
Virial Ratio = -2.00138271