(1s 2 2s 2 2p 3 4d 1 ) 5 D Ne 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | .940415 | 1.23013443 |
| 2 | 4d | .758241 | -1.64615997 |
| 3 | 3d | 3.096490 | .05070770 |
| 4 | 5d | 1.548703 | -.08127540 |
| 5 | 4d | 3.934712 | -.01077950 |
| 6 | 5d | 12.726926 | -.00012291 |
| ORB.ENERGY,a.u. | -.293680 | ||
| NORM | 1.000001 | < R > | 6.603300 | < R2 > | 50.261077 | < 1/R > | .206357 | < 1/R**2 > | .074500 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.996862 | .76107142 |
| 2 | 2p | 4.914547 | .24820211 |
| 3 | 2p | 9.934981 | .01667727 |
| 4 | 3p | 1.483459 | -.00183874 |
| 5 | 4p | 2.514765 | .01357825 |
| 6 | 5p | 12.496652 | .00280199 |
| 7 | 5p | .742484 | -.00011985 |
| ORB.ENERGY,a.u. | -3.325900 | ||
| NORM | 1.000000 | < R > | .743994 | < R2 > | .684698 | < 1/R > | 1.743139 | < 1/R**2 > | 4.238220 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.251245 | .33410044 |
| 2 | 2s | 3.854640 | -.82438227 |
| 3 | 3s | 3.270761 | -.28602034 |
| 4 | 4s | 12.327536 | .01492707 |
| 5 | 3s | 15.077930 | .00437274 |
| 6 | 5s | 24.075294 | .00069089 |
| 7 | 5s | 5.656199 | -.01055314 |
| 8 | 4s | 7.730560 | -.00519752 |
| ORB.ENERGY,a.u. | -3.109400 | ||
| NORM | 1.000000 | < R > | .797740 | < R2 > | .754492 | < 1/R > | 1.812407 | < 1/R**2 > | 13.437458 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.071308 | .86633107 |
| 2 | 1s | 13.142146 | .14167188 |
| 3 | 1s | 2.098324 | -.00210694 |
| 4 | 2s | 7.960740 | -.00745201 |
| 5 | 3s | 6.343210 | .00601941 |
| 6 | 4s | 19.402455 | .00302612 |
| 7 | 5s | 57.479023 | -.00002112 |
| 8 | 5s | 3.988535 | .00081857 |
| ORB.ENERGY,a.u. | -33.976000 |
| NORM | 1.000000 | < R > | .157271 | < R2 > | .033273 | < 1/R > | 9.630844 | < 1/R**2 > | 187.569814 |
Total Energy= -124.39495430 a.u.
Kinetic Energy= 124.39791050 a.u.
Potential Energy= -248.79286480 a.u.
Virial Ratio = -1.99997624