(1s 2 2s 2 2p 2 3s 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 8.472285 | .13306103 |
| 2 | 2s | 2.935098 | -.59123566 |
| 3 | 3s | 1.730121 | 1.21341125 |
| 4 | 4s | 7.164564 | -.04058595 |
| 5 | 5s | 12.382119 | -.00308305 |
| 6 | 4s | .918916 | .00048625 |
| 7 | 4s | 34.038612 | -.00004954 |
| ORB.ENERGY,a.u. | -1.372400 | ||
| NORM | 1.000000 | < R > | 2.222695 | < R2 > | 5.613088 | < 1/R > | .628349 | < 1/R**2 > | 2.376150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.287890 | .79814561 |
| 2 | 2p | 5.186229 | .19978963 |
| 3 | 2p | 10.185193 | .01341090 |
| 4 | 3p | 2.139245 | .02913629 |
| 5 | 4p | 1.811858 | -.01167370 |
| 6 | 5p | 20.649345 | -.00075793 |
| 7 | 5p | 1.793165 | .00436286 |
| 8 | 4p | 57.883299 | .00001205 |
| 9 | 3p | 19.643090 | -.00034493 |
| ORB.ENERGY,a.u. | -4.104500 | ||
| NORM | 1.000000 | < R > | .704437 | < R2 > | .609728 | < 1/R > | 1.825460 | < 1/R**2 > | 4.601954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.196031 | .34924800 |
| 2 | 2s | 3.948948 | -.82661978 |
| 3 | 3s | 3.716107 | -.27084178 |
| 4 | 4s | 11.189956 | .01087119 |
| 5 | 3s | 12.220618 | .01283125 |
| 6 | 5s | 3.595831 | -.01463224 |
| 7 | 2s | 1.482661 | -.02578618 |
| 8 | 5s | 37.238318 | -.00024356 |
| 9 | 4s | 55.328032 | -.00006047 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .774386 | < R2 > | .710841 | < 1/R > | 1.872947 | < 1/R**2 > | 14.312318 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.702241 | .61432347 |
| 2 | 1s | 13.260459 | .30230946 |
| 3 | 1s | 5.217667 | .00610185 |
| 4 | 2s | 10.347614 | .13469316 |
| 5 | 3s | 10.669592 | -.04364633 |
| 6 | 4s | 19.004347 | .00201755 |
| 7 | 5s | 2.633666 | .00059442 |
| 8 | 3s | 28.785346 | -.00024267 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156983 | < R2 > | .033121 | < 1/R > | 9.641519 | < 1/R**2 > | 187.883759 |
Total Energy= -121.89852553 a.u.
Kinetic Energy= 121.91468864 a.u.
Potential Energy= -243.81321418 a.u.
Virial Ratio = -1.99986742