(1s 2 2s 2 2p 2 4p 1 ) 2 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4.193827 | .13039350 |
| 2 | 3p | .681670 | -.23395902 |
| 3 | 4p | 1.016905 | 1.68795087 |
| 4 | 5p | 2.889558 | -.29270450 |
| 5 | 2p | 9.257146 | .00290228 |
| 6 | 5p | 1.926024 | -.82592815 |
| 7 | 4p | 20.239122 | -.00015591 |
| 8 | 5p | .670535 | .02498302 |
| ORB.ENERGY,a.u. | -.585010 | ||
| NORM | 1.000001 | < R > | 4.920632 | < R2 > | 27.274786 | < 1/R > | .267983 | < 1/R**2 > | .169951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.258808 | .82015584 |
| 2 | 2p | 5.262386 | .20140369 |
| 3 | 2p | 10.406389 | .01187212 |
| 4 | 3p | 1.109518 | -.05472320 |
| 5 | 4p | 1.020201 | .07773694 |
| 6 | 5p | 28.175465 | .00025575 |
| 7 | 5p | .945223 | -.01985030 |
| 8 | 4p | 19.645406 | -.00113321 |
| 9 | 3p | .644761 | .00819667 |
| ORB.ENERGY,a.u. | -4.311300 | ||
| NORM | 1.000000 | < R > | .697273 | < R2 > | .607770 | < 1/R > | 1.842344 | < 1/R**2 > | 4.673791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.206270 | .35043699 |
| 2 | 2s | 3.931431 | -.83711308 |
| 3 | 3s | 3.699186 | -.27556041 |
| 4 | 4s | 11.845567 | .01315299 |
| 5 | 3s | 12.770527 | .00859067 |
| 6 | 5s | 3.646637 | -.01638451 |
| 7 | 5s | 24.112259 | .00061865 |
| 8 | 3s | 1.326166 | .00039546 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767838 | < R2 > | .695219 | < 1/R > | 1.884151 | < 1/R**2 > | 14.455541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.708693 | .61338532 |
| 2 | 1s | 13.272339 | .30147296 |
| 3 | 1s | 5.818488 | .00701770 |
| 4 | 2s | 10.366210 | .13444485 |
| 5 | 3s | 10.779724 | -.04338385 |
| 6 | 4s | 18.428866 | .00289559 |
| 7 | 5s | 61.024517 | -.00003956 |
| 8 | 5s | 5.991908 | .00027951 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157008 | < R2 > | .033134 | < 1/R > | 9.640659 | < 1/R**2 > | 187.860729 |
Total Energy= -121.14230166 a.u.
Kinetic Energy= 121.12848340 a.u.
Potential Energy= -242.27078507 a.u.
Virial Ratio = -2.00011408