(1s 2 2s 2 2p 2 4d 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 1.250630 | 1.22722909 |
| 2 | 4d | 1.011042 | -1.64898262 |
| 3 | 3d | 3.814397 | .04034832 |
| 4 | 5d | 2.051492 | -.08134928 |
| 5 | 4d | 6.378637 | -.00081552 |
| 6 | 5d | 14.925657 | -.00011807 |
| ORB.ENERGY,a.u. | -.521820 | ||
| NORM | 1.000000 | < R > | 4.957434 | < R2 > | 28.299323 | < 1/R > | .273672 | < 1/R**2 > | .129476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.237686 | .79557500 |
| 2 | 2p | 5.169321 | .21759858 |
| 3 | 2p | 10.408820 | .01208926 |
| 4 | 3p | 1.688154 | .00877387 |
| 5 | 4p | 1.503932 | -.00655913 |
| 6 | 5p | 21.924467 | -.00071675 |
| 7 | 5p | 1.452020 | .00156110 |
| 8 | 4p | 31.859652 | -.00011992 |
| ORB.ENERGY,a.u. | -4.333500 | ||
| NORM | 1.000000 | < R > | .701628 | < R2 > | .603868 | < 1/R > | 1.830893 | < 1/R**2 > | 4.626670 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.185648 | .35189477 |
| 2 | 2s | 3.943778 | -.84051962 |
| 3 | 3s | 3.651549 | -.27917539 |
| 4 | 4s | 11.769205 | .01415953 |
| 5 | 3s | 12.909917 | .00851550 |
| 6 | 5s | 3.563038 | -.01171440 |
| 7 | 5s | 23.904908 | .00065972 |
| 8 | 3s | 1.817572 | .00075542 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767675 | < R2 > | .694996 | < 1/R > | 1.884783 | < 1/R**2 > | 14.465207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709561 | .61347015 |
| 2 | 1s | 13.271893 | .30150271 |
| 3 | 1s | 5.740017 | .00694665 |
| 4 | 2s | 10.367056 | .13445423 |
| 5 | 3s | 10.767252 | -.04345048 |
| 6 | 4s | 18.409303 | .00288158 |
| 7 | 5s | 60.959678 | -.00004035 |
| 8 | 5s | 5.693387 | .00026006 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156988 | < R2 > | .033124 | < 1/R > | 9.641466 | < 1/R**2 > | 187.885263 |
Total Energy= -121.06319998 a.u.
Kinetic Energy= 121.06540242 a.u.
Potential Energy= -242.12860240 a.u.
Virial Ratio = -1.99998181