(1s 2 2s 2 2p 2 4p 1 ) 2 D Na 4+
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 | 4.940047 | .16371881 |
| 2 | 3p | 1.023436 | -.48819593 |
| 3 | 5p | 1.483564 | 1.41230601 |
| 4 | 4p | 2.295548 | -.69199592 |
| 5 | 5p | 5.965390 | .03523616 |
| 6 | 4p | 14.388855 | -.00256754 |
| 7 | 5p | 1.206169 | .24120348 |
| 8 | 5p | 32.467718 | -.00024801 |
| 9 | 4p | 48.406455 | -.00005230 |
| ORB.ENERGY,a.u. | -.903940 | ||
| NORM | .999999 | < R > | 3.983180 | < R2 > | 17.891143 | < 1/R > | .337157 | < 1/R**2 > | .285200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.023222 | 1.35400158 |
| 2 | 3p | 5.341342 | -.43616391 |
| 3 | 4p | 6.778814 | .08318539 |
| 4 | 5p | 1.545032 | .05936203 |
| 5 | 4p | 1.496800 | -.04235065 |
| 6 | 5p | 21.770102 | -.00048813 |
| 7 | 3p | 13.592454 | -.00323757 |
| 8 | 3p | .680107 | .00074766 |
| 9 | 4p | 62.410265 | .00000771 |
| ORB.ENERGY,a.u. | -5.947900 | ||
| NORM | 1.000000 | < R > | .610396 | < R2 > | .461330 | < 1/R > | 2.096640 | < 1/R**2 > | 6.029073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.002724 | .36326151 |
| 2 | 2s | 4.424041 | -.82550701 |
| 3 | 3s | 4.504704 | -.26824242 |
| 4 | 4s | 17.789400 | .00277205 |
| 5 | 3s | 10.755830 | .01830232 |
| 6 | 5s | 4.483360 | -.04324734 |
| 7 | 4s | 1.052980 | .00013575 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680322 | < R2 > | .544796 | < 1/R > | 2.133251 | < 1/R**2 > | 18.524061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125487 | .89378483 |
| 2 | 1s | 15.380582 | .10662613 |
| 3 | 2s | 9.525060 | .01808673 |
| 4 | 3s | 11.705619 | -.01494140 |
| 5 | 5s | 26.572631 | .00131838 |
| 6 | 4s | 66.691008 | -.00003457 |
| 7 | 5s | 8.648759 | .00093641 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637039 | < 1/R**2 > | 228.500507 |
Total Energy= -149.68422100 a.u.
Kinetic Energy= 149.67432693 a.u.
Potential Energy= -299.35854793 a.u.
Virial Ratio = -2.00006610