(1s 2 2s 2 2p 1 5d 1 ) 1 D Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.286684 | 1.42423351 |
| 2 | 4d | 1.116262 | -3.98704675 |
| 3 | 5d | 1.009728 | 3.14726437 |
| 4 | 3d | 3.788322 | .04568687 |
| 5 | 4d | 1.016546 | .03475614 |
| 6 | 5d | 3.385807 | .03485278 |
| 7 | 4d | 9.293269 | -.00050128 |
| ORB.ENERGY,a.u. | -.520490 | ||
| NORM | 1.000003 | < R > | 6.601935 | < R2 > | 49.518755 | < 1/R > | .212571 | < 1/R**2 > | .096395 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.633501 | .79741699 |
| 2 | 2p | 5.034206 | .20943890 |
| 3 | 2p | 12.429445 | .00518605 |
| 4 | 3p | 6.010774 | -.03281987 |
| 5 | 4p | 4.078673 | .03946295 |
| 6 | 4p | 16.511568 | -.00076780 |
| 7 | 5p | 2.163599 | -.00951284 |
| 8 | 3p | 1.659117 | .01343798 |
| ORB.ENERGY,a.u. | -5.585700 | ||
| NORM | 1.000000 | < R > | .663126 | < R2 > | .535401 | < 1/R > | 1.920742 | < 1/R**2 > | 5.043440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.900248 | .32318794 |
| 2 | 2s | 3.352522 | -.79336024 |
| 3 | 3s | 5.247741 | -.27141177 |
| 4 | 4s | 18.609082 | .00200806 |
| 5 | 5s | 10.342815 | -.01648553 |
| 6 | 5s | 3.814469 | .02443296 |
| 7 | 4s | 41.880192 | .00002281 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738891 | < R2 > | .640909 | < 1/R > | 1.961194 | < 1/R**2 > | 15.585994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.617779 | .00041894 |
| 2 | 1s | 9.271313 | .89165924 |
| 3 | 1s | 13.710315 | .10450128 |
| 4 | 2s | 7.491249 | .01480557 |
| 5 | 3s | 10.867781 | -.00733757 |
| 6 | 4s | 18.679732 | .00417595 |
| 7 | 5s | 10.281860 | -.00183595 |
| 8 | 5s | 37.018455 | .00007759 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156626 | < R2 > | .032935 | < 1/R > | 9.655382 | < 1/R**2 > | 188.301377 |
Total Energy= -116.42617793 a.u.
Kinetic Energy= 116.43133680 a.u.
Potential Energy= -232.85751472 a.u.
Virial Ratio = -1.99995569