(1s 2 2s 1 3d 1 ) 1 D Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 4.998311 | .99735199 |
| 2 | 3d | 11.158425 | .01024514 |
| 3 | 4d | 10.982669 | -.00425606 |
| 4 | 5d | 32.846027 | -.00035098 |
| 5 | 4d | 56.855241 | -.00003181 |
| ORB.ENERGY,a.u. | -12.501000 | ||
| NORM | 1.000000 | < R > | .698407 | < R2 > | .558127 | < 1/R > | 1.673998 | < 1/R**2 > | 3.374860 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.683821 | .43635358 |
| 2 | 2s | 7.852718 | -.81491508 |
| 3 | 3s | 9.518930 | -.30205710 |
| 4 | 5s | 16.791192 | -.02210276 |
| 5 | 4s | 34.898838 | .00242803 |
| 6 | 5s | 50.065989 | -.00042866 |
| 7 | 4s | 3.055566 | .00003948 |
| ORB.ENERGY,a.u. | -32.011000 | ||
| NORM | 1.000000 | < R > | .358984 | < R2 > | .150360 | < 1/R > | 4.123113 | < 1/R**2 > | 68.489464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.360218 | .93865479 |
| 2 | 1s | 27.397471 | .04885105 |
| 3 | 2s | 21.983726 | .01689454 |
| 4 | 3s | 8.693597 | .00045658 |
| 5 | 4s | 70.333840 | -.00042445 |
| 6 | 5s | 93.075740 | .00015705 |
| 7 | 5s | 18.258577 | .00059448 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085212 | < R2 > | .009713 | < 1/R > | 17.673467 | < 1/R**2 > | 627.821265 |
Total Energy= -359.52476380 a.u.
Kinetic Energy= 358.93995370 a.u.
Potential Energy= -718.46471750 a.u.
Virial Ratio = -2.00162927