(1s 2 2s 2 2p 3 4d 1 ) 3 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | .878913 | 1.35244420 |
| 2 | 4d | .741249 | -1.80154708 |
| 3 | 3d | 3.780315 | .01277830 |
| 4 | 5d | 1.676356 | -.02993087 |
| 5 | 4d | 4.980917 | -.00129039 |
| 6 | 5d | .536775 | .00305398 |
| ORB.ENERGY,a.u. | -.284450 | ||
| NORM | .999999 | < R > | 6.887008 | < R2 > | 54.373703 | < 1/R > | .193136 | < 1/R**2 > | .061753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.012249 | .76440486 |
| 2 | 2p | 4.927432 | .24330303 |
| 3 | 2p | 9.936451 | .01668922 |
| 4 | 3p | 3.145867 | -.00106305 |
| 5 | 4p | 2.760969 | .01397357 |
| 6 | 5p | 12.529510 | .00278498 |
| ORB.ENERGY,a.u. | -3.316700 | ||
| NORM | 1.000000 | < R > | .742855 | < R2 > | .682196 | < 1/R > | 1.744934 | < 1/R**2 > | 4.245261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.248788 | .33427595 |
| 2 | 2s | 3.856895 | -.82434540 |
| 3 | 3s | 3.272850 | -.28609415 |
| 4 | 4s | 12.387113 | .01484135 |
| 5 | 3s | 15.102961 | .00435288 |
| 6 | 5s | 24.223577 | .00065894 |
| 7 | 5s | 5.607426 | -.01083298 |
| 8 | 4s | 7.518753 | -.00486699 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .797633 | < R2 > | .754238 | < 1/R > | 1.812572 | < 1/R**2 > | 13.439500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.065117 | .86844508 |
| 2 | 1s | 13.151152 | .14091164 |
| 3 | 1s | 2.245691 | -.00321889 |
| 4 | 3s | 6.247104 | .00649176 |
| 5 | 4s | 19.355456 | .00304336 |
| 6 | 2s | 8.241533 | -.00838644 |
| 7 | 5s | 59.073127 | -.00001982 |
| 8 | 5s | 4.129887 | .00107905 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157274 | < R2 > | .033274 | < 1/R > | 9.630750 | < 1/R**2 > | 187.566950 |
Total Energy= -124.39460054 a.u.
Kinetic Energy= 124.38866292 a.u.
Potential Energy= -248.78326346 a.u.
Virial Ratio = -2.00004773