(1s 2 2s 2 2p 1 5p 1 ) 3 S Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 2.831157 | .17210357 |
| 2 | 3p | 1.320279 | -2.01055134 |
| 3 | 4p | 1.100851 | 5.90703766 |
| 4 | 5p | 1.059789 | -4.63711163 |
| 5 | 2p | 5.830617 | .05113927 |
| 6 | 5p | 5.809775 | .01952683 |
| 7 | 5p | 2.347524 | -.12358860 |
| 8 | 4p | 7.747618 | .01539246 |
| ORB.ENERGY,a.u. | -.553940 | ||
| NORM | .999999 | < R > | 6.588112 | < R2 > | 48.785948 | < 1/R > | .217259 | < 1/R**2 > | .167990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.584093 | .86400702 |
| 2 | 2p | 5.460216 | .14561206 |
| 3 | 2p | 11.379775 | .00856995 |
| 4 | 3p | 5.028735 | -.00953128 |
| 5 | 4p | 3.661618 | .01247517 |
| 6 | 4p | 18.071588 | -.00062151 |
| ORB.ENERGY,a.u. | -5.129400 | ||
| NORM | 1.000000 | < R > | .661693 | < R2 > | .533071 | < 1/R > | 1.924581 | < 1/R**2 > | 5.062121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.891306 | .32362789 |
| 2 | 2s | 3.361324 | -.79369174 |
| 3 | 3s | 5.256256 | -.27189917 |
| 4 | 4s | 17.875888 | .00252749 |
| 5 | 5s | 10.329151 | -.01443388 |
| 6 | 5s | 3.780864 | .02217271 |
| 7 | 4s | 35.532955 | .00005761 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738972 | < R2 > | .641031 | < 1/R > | 1.960919 | < 1/R**2 > | 15.582078 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.646061 | .00029220 |
| 2 | 1s | 9.270974 | .89171406 |
| 3 | 1s | 13.710079 | .10448428 |
| 4 | 2s | 7.444061 | .01494655 |
| 5 | 3s | 10.857414 | -.00734114 |
| 6 | 4s | 18.665269 | .00417496 |
| 7 | 5s | 10.241989 | -.00186079 |
| 8 | 5s | 36.889765 | .00007981 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156640 | < R2 > | .032942 | < 1/R > | 9.654796 | < 1/R**2 > | 188.283328 |
Total Energy= -116.46409967 a.u.
Kinetic Energy= 116.46468193 a.u.
Potential Energy= -232.92878160 a.u.
Virial Ratio = -1.99999500