(1s 2 2s 2 2p 1 4p 1 ) 1 S F 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 1.993739 | .31236863 |
| 2 | 3p | 1.219556 | -1.94148953 |
| 3 | 4p | 1.073395 | 2.19965492 |
| 4 | 5p | 5.995344 | -.01149941 |
| 5 | 2p | 6.715718 | .01119198 |
| 6 | 4p | 21.260214 | -.00004269 |
| ORB.ENERGY,a.u. | -.568650 | ||
| NORM | 1.000000 | < R > | 5.036510 | < R2 > | 28.542506 | < 1/R > | .250883 | < 1/R**2 > | .113182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.242842 | .91522956 |
| 2 | 2p | 6.979338 | .06494571 |
| 3 | 3p | 1.181849 | -.13415050 |
| 4 | 5p | 1.326545 | .07079631 |
| 5 | 5p | 8.137351 | .01826707 |
| 6 | 5p | 11.806023 | .00558046 |
| 7 | 4p | 3.472523 | .04801209 |
| 8 | 4p | .990217 | .09969692 |
| 9 | 3p | 16.847561 | -.00018711 |
| 10 | 5p | .691523 | -.00117071 |
| ORB.ENERGY,a.u. | -3.900300 | ||
| NORM | 1.000000 | < R > | .770908 | < R2 > | .860247 | < 1/R > | 1.697030 | < 1/R**2 > | 3.938312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.066570 | .30850058 |
| 2 | 2s | 2.911997 | -.78673498 |
| 3 | 3s | 4.661842 | -.27180580 |
| 4 | 4s | 15.320334 | .00312871 |
| 5 | 5s | 9.333719 | -.01442045 |
| 6 | 5s | 3.286262 | .02017279 |
| 7 | 4s | 27.250446 | .00015124 |
| 8 | 3s | .749260 | .00022092 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .844563 | < R2 > | .838689 | < 1/R > | 1.709056 | < 1/R**2 > | 11.836664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.848762 | .00081952 |
| 2 | 1s | 8.049262 | .85132815 |
| 3 | 1s | 12.605086 | .14468772 |
| 4 | 2s | 10.974296 | .02087786 |
| 5 | 3s | 9.862425 | -.01572928 |
| 6 | 4s | 15.882024 | .00456323 |
| 7 | 5s | 27.802175 | .00029173 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174853 | < R2 > | .041077 | < 1/R > | 8.656736 | < 1/R**2 > | 151.530468 |
Total Energy= -92.71286784 a.u.
Kinetic Energy= 92.69534319 a.u.
Potential Energy= -185.40821104 a.u.
Virial Ratio = -2.00018906