(1s 2 2s 2 2p 4 3s 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 9.773477 | .05458672 |
| 2 | 2s | 2.558507 | -.25498005 |
| 3 | 3s | 1.170503 | 1.00188003 |
| 4 | 4s | 6.844418 | -.03952775 |
| 5 | 5s | 1.114414 | .08168035 |
| 6 | 5s | 12.221017 | -.00680128 |
| 7 | 4s | 29.229159 | .00012397 |
| 8 | 2s | 14.381930 | .00262025 |
| ORB.ENERGY,a.u. | -.474630 | ||
| NORM | 1.000000 | < R > | 3.251445 | < R2 > | 11.994186 | < 1/R > | .386936 | < 1/R**2 > | .691837 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.647151 | .67020512 |
| 2 | 2p | 4.486239 | .37193062 |
| 3 | 2p | 11.067966 | .01099000 |
| 4 | 3p | 1.899222 | .03906441 |
| 5 | 4p | 6.565528 | -.03054291 |
| 6 | 4p | 1.845925 | -.00903382 |
| 7 | 5p | 22.914923 | -.00017305 |
| ORB.ENERGY,a.u. | -1.837900 | ||
| NORM | 1.000000 | < R > | .807404 | < R2 > | .819014 | < 1/R > | 1.634288 | < 1/R**2 > | 3.793189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.370337 | .31601612 |
| 2 | 2s | 3.742581 | -.82684028 |
| 3 | 3s | 3.033801 | -.29963679 |
| 4 | 4s | 12.534974 | .01376344 |
| 5 | 3s | 14.941060 | .00700770 |
| 6 | 5s | 2.789907 | .00545242 |
| 7 | 4s | 1.253429 | .01109929 |
| 8 | 2s | 30.203428 | .00016442 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .823936 | < R2 > | .807943 | < 1/R > | 1.753198 | < 1/R**2 > | 12.616793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.248052 | .89572550 |
| 2 | 1s | 13.910988 | .09946706 |
| 3 | 1s | 11.398649 | .00108146 |
| 4 | 2s | 7.168429 | .01586665 |
| 5 | 3s | 11.373152 | -.00703361 |
| 6 | 4s | 18.727584 | .00341197 |
| 7 | 5s | 69.688395 | -.00001535 |
| 8 | 5s | 6.091420 | .00082623 |
| 9 | 5s | 1.646827 | -.00050725 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157465 | < R2 > | .033380 | < 1/R > | 9.623785 | < 1/R**2 > | 187.361553 |
Total Energy= -126.85760338 a.u.
Kinetic Energy= 126.84633769 a.u.
Potential Energy= -253.70394107 a.u.
Virial Ratio = -2.00008881