(1s 2 2s 1 3s 1 ) 3 S Mg 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 8.846224 | .23579969 |
| 2 | 2s | 3.880900 | -1.14291915 |
| 3 | 3s | 3.130101 | 1.74230596 |
| 4 | 4s | 5.722383 | -.12258770 |
| 5 | 5s | 10.045204 | -.02620513 |
| 6 | 4s | 18.933552 | .00388322 |
| 7 | 5s | 2.864644 | -.00726576 |
| 8 | 3s | 23.765565 | .00056909 |
| ORB.ENERGY,a.u. | -5.044000 | ||
| NORM | 1.000000 | < R > | 1.352942 | < R2 > | 2.069148 | < 1/R > | 1.063899 | < 1/R**2 > | 6.730378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.058130 | .39940209 |
| 2 | 2s | 4.955056 | -.78253089 |
| 3 | 3s | 6.158946 | -.29696241 |
| 4 | 5s | 10.531651 | -.03286109 |
| 5 | 4s | 21.933841 | .00601264 |
| 6 | 5s | 29.576611 | -.00145130 |
| 7 | 4s | 79.334623 | .00001669 |
| ORB.ENERGY,a.u. | -12.708000 | ||
| NORM | 1.000000 | < R > | .558659 | < R2 > | .364157 | < 1/R > | 2.631829 | < 1/R**2 > | 27.975901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.423992 | .93713683 |
| 2 | 1s | 18.490996 | .05262201 |
| 3 | 2s | 13.980087 | .01464994 |
| 4 | 3s | 8.202931 | .00250112 |
| 5 | 4s | 48.653327 | -.00055640 |
| 6 | 5s | 65.177195 | .00020316 |
| 7 | 5s | 5.131970 | .00096003 |
| 8 | 4s | 3.951139 | -.00125749 |
| ORB.ENERGY,a.u. | -60.402000 |
| NORM | 1.000000 | < R > | .129298 | < R2 > | .022403 | < 1/R > | 11.672061 | < 1/R**2 > | 274.551267 |
Total Energy= -155.08716140 a.u.
Kinetic Energy= 155.12089870 a.u.
Potential Energy= -310.20806010 a.u.
Virial Ratio = -1.99978251