(1s 2 2s 2 2p 2 5p 1 ) 4 S Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | 5p- electron | |
| 1 | 2p | 2.226205 | .19736532 |
| 2 | 3p | 1.239341 | -1.52681176 |
| 3 | 4p | .887491 | 5.08724328 |
| 4 | 5p | .867957 | -4.47263765 |
| 5 | 2p | 5.454836 | .03550601 |
| 6 | 5p | 6.251021 | .00229476 |
| 7 | 3p | 9.841054 | -.00184459 |
| ORB.ENERGY,a.u. | -.367080 | ||
| NORM | 1.000008 | < R > | 7.958661 | < R2 > | 71.151750 | < 1/R > | .172272 | < 1/R**2 > | .087294 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.292216 | .83262046 |
| 2 | 2p | 5.418177 | .18479770 |
| 3 | 2p | 11.512755 | .00798929 |
| 4 | 3p | .717677 | -.18940118 |
| 5 | 4p | .978319 | .18531077 |
| 6 | 4p | 2.996115 | .00753579 |
| 7 | 5p | 24.192521 | -.00023877 |
| 8 | 5p | .622311 | .00260592 |
| ORB.ENERGY,a.u. | -4.439000 | ||
| NORM | 1.000000 | < R > | .700540 | < R2 > | .625537 | < 1/R > | 1.837572 | < 1/R**2 > | 4.654390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.192778 | .35157548 |
| 2 | 2s | 3.934568 | -.84297385 |
| 3 | 3s | 3.648710 | -.27945006 |
| 4 | 4s | 11.457858 | .01243822 |
| 5 | 3s | 12.709438 | .01112731 |
| 6 | 5s | 3.456102 | -.01803586 |
| 7 | 5s | 37.572225 | -.00023205 |
| 8 | 4s | 2.934791 | .01077746 |
| 9 | 4s | 55.706875 | -.00005769 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767230 | < R2 > | .694011 | < 1/R > | 1.885615 | < 1/R**2 > | 14.476383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709062 | .61345158 |
| 2 | 1s | 13.271700 | .30151241 |
| 3 | 1s | 5.735934 | .00698291 |
| 4 | 2s | 10.365554 | .13445026 |
| 5 | 3s | 10.768447 | -.04344045 |
| 6 | 4s | 18.420764 | .00286337 |
| 7 | 5s | 60.798034 | -.00004085 |
| 8 | 5s | 5.785463 | .00025336 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157000 | < R2 > | .033129 | < 1/R > | 9.641012 | < 1/R**2 > | 187.871403 |
Total Energy= -120.91170221 a.u.
Kinetic Energy= 120.91059587 a.u.
Potential Energy= -241.82229808 a.u.
Virial Ratio = -2.00000915