(1s 2 2s 2 2p 2 3d 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 1.801887 | 1.10168981 |
| 2 | 3d | 4.743812 | .02888413 |
| 3 | 4d | 2.300596 | -.13313420 |
| 4 | 5d | 39.374429 | .00001859 |
| 5 | 5d | 1.735767 | .02262364 |
| ORB.ENERGY,a.u. | -1.464400 | ||
| NORM | 1.000000 | < R > | 1.937519 | < R2 > | 4.340525 | < 1/R > | .612788 | < 1/R**2 > | .462892 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.820576 | 1.22415205 |
| 2 | 3p | 4.606130 | -.25506846 |
| 3 | 2p | 10.196561 | .02624330 |
| 4 | 4p | 10.915037 | .00725551 |
| 5 | 5p | 23.401847 | -.00031756 |
| 6 | 5p | 3.199459 | .00328585 |
| ORB.ENERGY,a.u. | -5.661900 | ||
| NORM | 1.000000 | < R > | .615249 | < R2 > | .463429 | < 1/R > | 2.082101 | < 1/R**2 > | 5.960721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.986081 | .36374451 |
| 2 | 2s | 4.431798 | -.82770214 |
| 3 | 3s | 4.451449 | -.26923180 |
| 4 | 4s | 17.591988 | .00282077 |
| 5 | 3s | 10.828070 | .01823235 |
| 6 | 5s | 4.395232 | -.04157192 |
| 7 | 4s | 2.379204 | -.00065486 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .681691 | < R2 > | .547486 | < 1/R > | 2.129897 | < 1/R**2 > | 18.473203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126872 | .89442098 |
| 2 | 1s | 15.410511 | .10593530 |
| 3 | 2s | 9.697030 | .01797184 |
| 4 | 3s | 11.819774 | -.01486496 |
| 5 | 5s | 26.552438 | .00136436 |
| 6 | 4s | 68.434900 | -.00003292 |
| 7 | 5s | 8.552801 | .00097880 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142176 | < R2 > | .027151 | < 1/R > | 10.638179 | < 1/R**2 > | 228.539109 |
Total Energy= -150.22497223 a.u.
Kinetic Energy= 150.23514333 a.u.
Potential Energy= -300.46011555 a.u.
Virial Ratio = -1.99993230