(1s 2 2s 2 3d 1 ) 2 D Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.068098 | .93785062 |
| 2 | 3d | 4.368039 | .04646466 |
| 3 | 4d | 1.948888 | .01789986 |
| 4 | 5d | 4.016841 | .01785832 |
| 5 | 4d | 9.992336 | -.00106751 |
| ORB.ENERGY,a.u. | -2.067800 | ||
| NORM | 1.000000 | < R > | 1.659786 | < R2 > | 3.172161 | < 1/R > | .710425 | < 1/R**2 > | .614910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.645874 | .34932966 |
| 2 | 2s | 3.706696 | -.78749950 |
| 3 | 3s | 5.310757 | -.28349596 |
| 4 | 4s | 14.522562 | .00821571 |
| 5 | 5s | 4.897433 | -.02004645 |
| 6 | 3s | 11.807678 | .00699141 |
| 7 | 5s | 18.226219 | -.00143511 |
| ORB.ENERGY,a.u. | -6.763300 | ||
| NORM | 1.000000 | < R > | .716320 | < R2 > | .601043 | < 1/R > | 2.028153 | < 1/R**2 > | 16.599776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287583 | .88735052 |
| 2 | 1s | 13.565264 | .10834012 |
| 3 | 2s | 7.612776 | .01479338 |
| 4 | 3s | 8.719062 | -.00856306 |
| 5 | 4s | 19.109890 | .00379753 |
| 6 | 5s | 12.276227 | -.00005155 |
| ORB.ENERGY,a.u. | -39.651000 |
| NORM | 1.000000 | < R > | .156175 | < R2 > | .032705 | < 1/R > | 9.673084 | < 1/R**2 > | 188.835221 |
Total Energy= -112.18411105 a.u.
Kinetic Energy= 112.17886134 a.u.
Potential Energy= -224.36297239 a.u.
Virial Ratio = -2.00004680