(1s 2 2s 2 2p 3 3d 1 ) 3 D Ar 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3.746769 | 1.05734778 |
| 2 | 3d | 9.396356 | .02189164 |
| 3 | 4d | 4.478707 | -.06907798 |
| 4 | 5d | 30.863639 | -.00009555 |
| ORB.ENERGY,a.u. | -6.869700 | ||
| NORM | 1.000000 | < R > | .919970 | < R2 > | .973271 | < 1/R > | 1.280321 | < 1/R**2 > | 1.996676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.266503 | 1.25296697 |
| 2 | 3p | 9.442864 | -.32932215 |
| 3 | 4p | 11.977196 | .06936288 |
| 4 | 4p | 4.568724 | .00491407 |
| 5 | 5p | 23.304745 | .00397237 |
| 6 | 5p | 22.999377 | -.00093133 |
| 7 | 5p | 4.353198 | -.00424968 |
| 8 | 3p | 3.126050 | .00268254 |
| ORB.ENERGY,a.u. | -21.275000 | ||
| NORM | 1.000000 | < R > | .337165 | < R2 > | .138219 | < 1/R > | 3.767684 | < 1/R**2 > | 19.312789 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.081474 | .42704174 |
| 2 | 2s | 7.910834 | -.87011413 |
| 3 | 3s | 7.667354 | -.29180856 |
| 4 | 4s | 30.720742 | .00181509 |
| 5 | 3s | 16.409174 | .01574786 |
| 6 | 5s | 7.544860 | -.01399793 |
| ORB.ENERGY,a.u. | -21.808000 | ||
| NORM | 1.000000 | < R > | .386768 | < R2 > | .175598 | < 1/R > | 3.797260 | < 1/R**2 > | 58.666449 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.185019 | .94510630 |
| 2 | 1s | 26.902748 | .05233638 |
| 3 | 2s | 15.418927 | .01874493 |
| 4 | 3s | 21.573451 | -.01475400 |
| 5 | 4s | 32.483841 | .00255523 |
| 6 | 5s | 61.043321 | .00010820 |
| 7 | 5s | 12.657673 | .00042202 |
| ORB.ENERGY,a.u. | -130.480000 |
| NORM | 1.000000 | < R > | .085710 | < R2 > | .009849 | < 1/R > | 17.604541 | < 1/R**2 > | 623.948085 |
Total Energy= -460.18933325 a.u.
Kinetic Energy= 460.05303336 a.u.
Potential Energy= -920.24236660 a.u.
Virial Ratio = -2.00029627