(1s 2 2s 2 2p 2 5d 1 ) 2 F Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 1.226007 | 1.76603259 |
| 2 | 4d | 1.090782 | -4.49919883 |
| 3 | 5d | .993178 | 3.39863497 |
| 4 | 3d | 3.393484 | .04157294 |
| 5 | 5d | 5.242565 | -.01269651 |
| 6 | 4d | 13.842722 | .00028049 |
| 7 | 5d | .686002 | -.00588276 |
| 8 | 5d | 38.682121 | .00001851 |
| 9 | 3d | 42.275257 | .00000351 |
| ORB.ENERGY,a.u. | -.508680 | ||
| NORM | 1.000005 | < R > | 6.759505 | < R2 > | 51.932276 | < 1/R > | .207364 | < 1/R**2 > | .090381 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.883995 | 1.21390459 |
| 2 | 3p | 4.769154 | -.23742333 |
| 3 | 2p | 10.625515 | .02097661 |
| 4 | 4p | 11.272163 | .00538882 |
| 5 | 5p | 23.569251 | -.00032790 |
| 6 | 5p | 3.251370 | .00242547 |
| ORB.ENERGY,a.u. | -6.087000 | ||
| NORM | 1.000000 | < R > | .612398 | < R2 > | .458448 | < 1/R > | 2.089040 | < 1/R**2 > | 5.993891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.008125 | .36330824 |
| 2 | 2s | 4.421630 | -.82555900 |
| 3 | 3s | 4.503750 | -.26826480 |
| 4 | 4s | 17.498614 | .00284863 |
| 5 | 3s | 10.939046 | .01733167 |
| 6 | 5s | 4.491254 | -.04161082 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679653 | < R2 > | .543653 | < 1/R > | 2.135410 | < 1/R**2 > | 18.558947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126653 | .89440627 |
| 2 | 1s | 15.409356 | .10595579 |
| 3 | 2s | 9.679614 | .01798606 |
| 4 | 3s | 11.811328 | -.01486954 |
| 5 | 5s | 26.559388 | .00135706 |
| 6 | 4s | 68.160213 | -.00003315 |
| 7 | 5s | 8.580562 | .00097375 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142182 | < R2 > | .027153 | < 1/R > | 10.637893 | < 1/R**2 > | 228.529197 |
Total Energy= -149.28700089 a.u.
Kinetic Energy= 149.27926237 a.u.
Potential Energy= -298.56626326 a.u.
Virial Ratio = -2.00005184