(1s 2 2s 2 2p 2 4p 1 ) 4 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 6.912952 | .26311726 |
| 2 | 3p | 2.243413 | -.54044447 |
| 3 | 5p | 2.632170 | 1.37087429 |
| 4 | 4p | 3.911555 | -.62748674 |
| 5 | 5p | 8.792766 | .02437846 |
| 6 | 4p | 20.703547 | -.00240694 |
| 7 | 5p | 2.310052 | .22847988 |
| 8 | 4p | 65.670035 | -.00006101 |
| 9 | 5p | 44.362088 | -.00025714 |
| ORB.ENERGY,a.u. | -2.828500 | ||
| NORM | 1.000000 | < R > | 2.290741 | < R2 > | 5.935625 | < 1/R > | .618533 | < 1/R**2 > | 1.079631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.812256 | 1.15687779 |
| 2 | 3p | 6.857912 | -.17905639 |
| 3 | 2p | 14.522749 | .01954095 |
| 4 | 4p | 16.738607 | .00475839 |
| 5 | 5p | 28.179613 | -.00059098 |
| 6 | 5p | 2.200372 | -.00040146 |
| 7 | 4p | 83.399898 | .00000955 |
| ORB.ENERGY,a.u. | -15.030000 | ||
| NORM | 1.000000 | < R > | .409646 | < R2 > | .203875 | < 1/R > | 3.099148 | < 1/R**2 > | 13.063834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.897359 | .41277284 |
| 2 | 2s | 6.471781 | -.85433696 |
| 3 | 3s | 6.655211 | -.28064760 |
| 4 | 4s | 25.426671 | .00218377 |
| 5 | 3s | 13.708340 | .01947515 |
| 6 | 5s | 6.715691 | -.03208834 |
| 7 | 4s | 1.041186 | .00142193 |
| 8 | 5s | 1.219824 | -.00134415 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467541 | < R2 > | .256333 | < 1/R > | 3.131502 | < 1/R**2 > | 39.822139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.108794 | .92173663 |
| 2 | 1s | 21.592298 | .07717986 |
| 3 | 2s | 13.430017 | .01934115 |
| 4 | 3s | 16.740157 | -.01553436 |
| 5 | 5s | 35.619959 | .00099043 |
| 6 | 4s | 86.752459 | -.00003216 |
| 7 | 5s | 11.765020 | .00050476 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103199 | < R2 > | .014280 | < 1/R > | 14.627096 | < 1/R**2 > | 431.038753 |
Total Energy= -294.49776889 a.u.
Kinetic Energy= 294.52176173 a.u.
Potential Energy= -589.01953061 a.u.
Virial Ratio = -1.99991854