(1s 2 2s 2 2p 3 ) 4 S Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 7.091268 | 1.16768821 |
| 2 | 3p | 8.323644 | -.17790329 |
| 3 | 2p | 18.121654 | .01587439 |
| 4 | 4p | 17.298671 | .00181472 |
| 5 | 5p | 15.144919 | -.00841260 |
| 6 | 5p | 6.759884 | .00082175 |
| 7 | 4p | 71.016178 | .00002393 |
| ORB.ENERGY,a.u. | -22.815000 | ||
| NORM | 1.000000 | < R > | .336673 | < R2 > | .137733 | < 1/R > | 3.771246 | < 1/R**2 > | 19.341525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.169544 | .42434351 |
| 2 | 2s | 7.864556 | -.86584132 |
| 3 | 3s | 7.795864 | -.28824687 |
| 4 | 4s | 30.537340 | .00181409 |
| 5 | 3s | 16.808665 | .01342544 |
| 6 | 5s | 7.782776 | -.01415615 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .385510 | < R2 > | .174317 | < 1/R > | 3.809021 | < 1/R**2 > | 58.996888 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.051447 | .93011844 |
| 2 | 1s | 26.065986 | .06868965 |
| 3 | 2s | 15.955450 | .01982917 |
| 4 | 3s | 20.765080 | -.01468388 |
| 5 | 5s | 41.778187 | .00066939 |
| 6 | 4s | 22.163684 | -.00117609 |
| 7 | 5s | 13.416167 | .00053849 |
| 8 | 3s | 62.076070 | -.00010736 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085711 | < R2 > | .009849 | < 1/R > | 17.604462 | < 1/R**2 > | 623.942636 |
Total Energy= -453.18405207 a.u.
Kinetic Energy= 453.18404095 a.u.
Potential Energy= -906.36809302 a.u.
Virial Ratio = -2.00000002