(1s 2 2s 2 2p 4 4d 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 4d- electron | |
| 1 | 3d | .840298 | 1.47489524 |
| 2 | 4d | .748190 | -1.96716153 |
| 3 | 3d | 4.378811 | .00706281 |
| 4 | 4d | 2.404649 | .00903620 |
| 5 | 5d | 8.730285 | -.00025166 |
| ORB.ENERGY,a.u. | -.284580 | ||
| NORM | .999999 | < R > | 6.900396 | < R2 > | 54.506570 | < 1/R > | .191667 | < 1/R**2 > | .060076 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.187442 | 1.36932520 |
| 2 | 3p | 3.887934 | -.43020365 |
| 3 | 2p | 8.537301 | .06402071 |
| 4 | 4p | 9.702872 | .01793887 |
| 5 | 5p | 45.156841 | .00002556 |
| 6 | 5p | 2.856159 | .00675199 |
| 7 | 4p | 65.283516 | .00000773 |
| 8 | 4p | 3.056474 | -.01876585 |
| ORB.ENERGY,a.u. | -3.327200 | ||
| NORM | 1.000000 | < R > | .689050 | < R2 > | .591285 | < 1/R > | 1.896582 | < 1/R**2 > | 5.056004 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.073578 | .33494339 |
| 2 | 2s | 4.233384 | -.82962076 |
| 3 | 3s | 3.565275 | -.29479462 |
| 4 | 4s | 13.905321 | .01085504 |
| 5 | 3s | 15.392628 | .00465177 |
| 6 | 5s | 28.443976 | .00036068 |
| 7 | 5s | 2.687477 | -.00059545 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727696 | < R2 > | .629248 | < 1/R > | 1.992095 | < 1/R**2 > | 16.294436 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243566 | .91124218 |
| 2 | 1s | 15.433521 | .08736666 |
| 3 | 2s | 5.655767 | .01836788 |
| 4 | 3s | 7.094743 | -.01930109 |
| 5 | 4s | 9.046319 | .00951192 |
| 6 | 5s | 26.225504 | .00114750 |
| 7 | 4s | 61.632893 | -.00004614 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617055 | < 1/R**2 > | 227.845915 |
Total Energy= -157.71327283 a.u.
Kinetic Energy= 157.70832027 a.u.
Potential Energy= -315.42159310 a.u.
Virial Ratio = -2.00003140