(1s 2 2s 2 2p 6 3s 2 3p 1 4d 1 ) 1 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 7.910449 | .01598452 |
| 2 | 4d | 63.157135 | .00000222 |
| 3 | 3d | 1.260960 | 1.27936518 |
| 4 | 4d | 1.380316 | -2.60491091 |
| 5 | 3d | 2.307694 | .84046599 |
| 6 | 4d | 2.699197 | -.42165596 |
| 7 | 5d | 4.432753 | -.04693973 |
| 8 | 5d | 1.503701 | .35212567 |
| ORB.ENERGY,a.u. | -.927690 | ||
| NORM | 1.000000 | < R > | 3.481658 | < R2 > | 13.859370 | < 1/R > | .386982 | < 1/R**2 > | .271063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.533482 | .39773196 |
| 2 | 2p | 2.173233 | -.35122190 |
| 3 | 3p | 2.831232 | -.77931293 |
| 4 | 2p | 10.705174 | .08600566 |
| 5 | 3p | 20.089003 | -.00157338 |
| 6 | 4p | 5.775631 | .00206889 |
| 7 | 5p | 9.558995 | -.00277191 |
| 8 | 4p | 72.758244 | .00000795 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.300398 | < R2 > | 1.943229 | < 1/R > | 1.034114 | < 1/R**2 > | 2.339906 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.084325 | -.24687666 |
| 2 | 1s | 13.088608 | .20514688 |
| 3 | 1s | 73.564468 | .00005916 |
| 4 | 2s | 6.044562 | -.33402655 |
| 5 | 3s | 2.858414 | 1.11169073 |
| 6 | 4s | 4.885379 | .12783708 |
| 7 | 3s | 40.455598 | -.00051634 |
| 8 | 5s | 3.215043 | -.09511284 |
| 9 | 2s | 1.424750 | .00281260 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.239225 | < R2 > | 1.745283 | < 1/R > | 1.107820 | < 1/R**2 > | 7.255799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.424102 | .43598351 |
| 2 | 3p | 8.302389 | .49291203 |
| 3 | 5p | 5.945327 | .01545387 |
| 4 | 4p | 6.972873 | .15779960 |
| 5 | 2p | 23.603955 | .00211946 |
| 6 | 5p | 41.781071 | -.00015224 |
| 7 | 3p | 3.188228 | .00156616 |
| 8 | 4p | 126.592083 | .00000163 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373810 | < R2 > | .172743 | < 1/R > | 3.460929 | < 1/R**2 > | 16.617502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329491 | .39159723 |
| 2 | 2s | 7.642573 | -.82733327 |
| 3 | 3s | 7.015223 | -.29746961 |
| 4 | 4s | 26.085844 | .00364083 |
| 5 | 3s | 13.043272 | .01104261 |
| 6 | 4s | 6.241829 | -.03864000 |
| 7 | 5s | 4.191300 | -.00028446 |
| 8 | 4s | 36.670972 | .00056378 |
| 9 | 2s | 47.135813 | -.00009533 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410026 | < R2 > | .198731 | < 1/R > | 3.573662 | < 1/R**2 > | 52.467287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586253 | 1.00955495 |
| 2 | 2s | 22.927454 | -.01618588 |
| 3 | 3s | 15.913132 | .01520030 |
| 4 | 4s | 32.623374 | -.00071716 |
| 5 | 4s | 11.940610 | .00373899 |
| 6 | 5s | 43.220268 | .00038420 |
| 7 | 5s | 14.125497 | -.00252316 |
| 8 | 2s | 31.103941 | -.00307271 |
| 9 | 2s | 64.120233 | .00012047 |
| 10 | 5s | 2.480062 | -.00000283 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557243 | < 1/R**2 > | 621.345937 |
Total Energy= -519.90531889 a.u.
Kinetic Energy= 519.92152502 a.u.
Potential Energy= -1039.82684391 a.u.
Virial Ratio = -1.99996883