(1s 2 2s 2 2p 2 4p 1 ) 2 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4.165500 | .14156257 |
| 2 | 3p | .785755 | -.58575453 |
| 3 | 4p | 1.020624 | 1.96820506 |
| 4 | 5p | 2.939834 | -.26793298 |
| 5 | 2p | 9.807953 | .00254055 |
| 6 | 5p | 1.968418 | -.74598753 |
| 7 | 4p | 19.962242 | -.00014179 |
| 8 | 5p | .705884 | .01900914 |
| ORB.ENERGY,a.u. | -.592750 | ||
| NORM | 1.000000 | < R > | 4.858408 | < R2 > | 26.604421 | < 1/R > | .273476 | < 1/R**2 > | .182508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.326126 | .85256504 |
| 2 | 2p | 5.597271 | .16575871 |
| 3 | 2p | 12.433840 | .00579301 |
| 4 | 3p | 1.027491 | -.08876351 |
| 5 | 4p | 1.111477 | .10001997 |
| 6 | 4p | 2.922621 | .01339062 |
| 7 | 3p | 25.920541 | .00007613 |
| ORB.ENERGY,a.u. | -4.319000 | ||
| NORM | 1.000000 | < R > | .697726 | < R2 > | .606761 | < 1/R > | 1.840982 | < 1/R**2 > | 4.668000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.195952 | .35108630 |
| 2 | 2s | 3.931692 | -.84231396 |
| 3 | 3s | 3.645952 | -.27926504 |
| 4 | 4s | 11.432657 | .01164534 |
| 5 | 3s | 12.491851 | .01165092 |
| 6 | 5s | 3.338175 | -.01872747 |
| 7 | 5s | 37.873599 | -.00021575 |
| 8 | 4s | 2.747521 | .01084462 |
| 9 | 4s | 55.917459 | -.00005417 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767867 | < R2 > | .695280 | < 1/R > | 1.884091 | < 1/R**2 > | 14.454695 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709316 | .61331990 |
| 2 | 1s | 13.272483 | .30142070 |
| 3 | 1s | 5.833339 | .00715387 |
| 4 | 2s | 10.366060 | .13443145 |
| 5 | 3s | 10.779199 | -.04339317 |
| 6 | 4s | 18.425479 | .00289734 |
| 7 | 5s | 61.060766 | -.00003951 |
| 8 | 5s | 5.978606 | .00027737 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157008 | < R2 > | .033133 | < 1/R > | 9.640665 | < 1/R**2 > | 187.860905 |
Total Energy= -121.14323092 a.u.
Kinetic Energy= 121.13624284 a.u.
Potential Energy= -242.27947376 a.u.
Virial Ratio = -2.00005769