(1s 2 2s 2 2p 2 3d 1 ) 4 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 3d- electron | |
| 1 | 3d | 1.806139 | 1.06567080 |
| 2 | 3d | 5.056845 | .01873819 |
| 3 | 4d | 2.438465 | -.10691260 |
| 4 | 5d | 13.038607 | -.00038810 |
| 5 | 5d | 1.765327 | .04181086 |
| ORB.ENERGY,a.u. | -1.447000 | ||
| NORM | 1.000000 | < R > | 1.973940 | < R2 > | 4.493813 | < 1/R > | .599331 | < 1/R**2 > | .440580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.854909 | 1.23164000 |
| 2 | 3p | 4.703990 | -.25610005 |
| 3 | 2p | 10.619259 | .02118766 |
| 4 | 4p | 11.400147 | .00527082 |
| 5 | 5p | 23.287597 | -.00035220 |
| 6 | 5p | 2.401650 | -.00195397 |
| 7 | 4p | 2.507614 | .00353278 |
| ORB.ENERGY,a.u. | -5.644400 | ||
| NORM | 1.000000 | < R > | .613746 | < R2 > | .460665 | < 1/R > | 2.085513 | < 1/R**2 > | 5.976717 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.991751 | .36345433 |
| 2 | 2s | 4.428617 | -.82699133 |
| 3 | 3s | 4.462299 | -.26890185 |
| 4 | 4s | 17.573454 | .00283059 |
| 5 | 3s | 10.851663 | .01799105 |
| 6 | 5s | 4.401452 | -.04198143 |
| 7 | 4s | 2.373749 | -.00065178 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681569 | < R2 > | .547253 | < 1/R > | 2.130223 | < 1/R**2 > | 18.478351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126805 | .89440781 |
| 2 | 1s | 15.409670 | .10594979 |
| 3 | 2s | 9.688847 | .01797834 |
| 4 | 3s | 11.816736 | -.01486570 |
| 5 | 5s | 26.552525 | .00136228 |
| 6 | 4s | 68.354811 | -.00003303 |
| 7 | 5s | 8.557981 | .00097727 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142179 | < R2 > | .027152 | < 1/R > | 10.638060 | < 1/R**2 > | 228.535066 |
Total Energy= -150.22441412 a.u.
Kinetic Energy= 150.21760809 a.u.
Potential Energy= -300.44202221 a.u.
Virial Ratio = -2.00004531