(1s 2 2s 2 2p 2 ) 1 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 7.438514 | 1.09986928 |
| 2 | 3p | 9.326866 | -.11598726 |
| 3 | 2p | 17.672339 | .01388719 |
| 4 | 5p | 23.653090 | .00235306 |
| 5 | 5p | 7.607838 | .00525157 |
| ORB.ENERGY,a.u. | -24.903000 | ||
| NORM | 1.000000 | < R > | .329425 | < R2 > | .131601 | < 1/R > | 3.845091 | < 1/R**2 > | 20.049607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.090240 | .39401057 |
| 2 | 2s | 7.203292 | -.83602102 |
| 3 | 3s | 9.047350 | -.28932445 |
| 4 | 4s | 33.154740 | .00106892 |
| 5 | 5s | 19.923303 | -.00663919 |
| 6 | 5s | 11.268774 | .02668417 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .378225 | < R2 > | .167503 | < 1/R > | 3.887288 | < 1/R**2 > | 61.242201 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.144837 | .96543520 |
| 2 | 1s | 29.332808 | .03884183 |
| 3 | 2s | 16.057130 | .01903471 |
| 4 | 3s | 26.507616 | -.01162366 |
| 5 | 4s | 22.530554 | -.01136023 |
| 6 | 5s | 45.877174 | .00057427 |
| 7 | 5s | 12.469949 | .00022642 |
| 8 | 3s | 74.123024 | -.00004203 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085560 | < R2 > | .009807 | < 1/R > | 17.624443 | < 1/R**2 > | 625.045256 |
Total Energy= -430.39688819 a.u.
Kinetic Energy= 430.08053270 a.u.
Potential Energy= -860.47742089 a.u.
Virial Ratio = -2.00073557