(1s 2 2s 2 2p 2 4d 1 ) 2 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | 3.318578 | 1.50175619 |
| 2 | 4d | 2.984619 | -2.00773746 |
| 3 | 3d | 7.934215 | .02979161 |
| 4 | 5d | 60.198555 | .00000188 |
| 5 | 5d | 11.085267 | -.00843128 |
| 6 | 5d | 2.638570 | .00623650 |
| 7 | 3d | 24.918282 | .00008896 |
| ORB.ENERGY,a.u. | -4.539500 | ||
| NORM | 1.000000 | < R > | 1.726865 | < R2 > | 3.417464 | < 1/R > | .768163 | < 1/R**2 > | .965793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.191098 | 1.15326200 |
| 2 | 3p | 7.975785 | -.16696525 |
| 3 | 2p | 17.651532 | .01889896 |
| 4 | 4p | 18.244400 | .00213608 |
| 5 | 5p | 14.371995 | -.01023157 |
| 6 | 5p | 3.232994 | .00017356 |
| 7 | 4p | 73.250013 | .00002244 |
| ORB.ENERGY,a.u. | -24.321000 | ||
| NORM | 1.000000 | < R > | .328249 | < R2 > | .130590 | < 1/R > | 3.855660 | < 1/R**2 > | 20.139347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.053983 | .43775100 |
| 2 | 2s | 7.996087 | -.87198464 |
| 3 | 3s | 8.179173 | -.28714007 |
| 4 | 4s | 30.485769 | .00190069 |
| 5 | 3s | 16.565258 | .01638827 |
| 6 | 5s | 8.247372 | -.02061656 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378745 | < R2 > | .167998 | < 1/R > | 3.881718 | < 1/R**2 > | 61.079112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683538 |
| 2 | 1s | 25.714148 | .07171153 |
| 3 | 2s | 15.770721 | .01936903 |
| 4 | 3s | 19.685259 | -.01555025 |
| 5 | 5s | 42.457336 | .00077867 |
| 6 | 4s | 99.578554 | -.00003412 |
| 7 | 5s | 12.657864 | .00023162 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009808 | < 1/R > | 17.624121 | < 1/R**2 > | 625.028041 |
Total Energy= -435.02538856 a.u.
Kinetic Energy= 434.93598167 a.u.
Potential Energy= -869.96137023 a.u.
Virial Ratio = -2.00020556