(1s 2 2s 2 2p 4 5p 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 5p- electron | |
| 1 | 2p | 3.120814 | .08701792 |
| 2 | 3p | 1.154781 | -1.07905511 |
| 3 | 4p | .735289 | 2.69936549 |
| 4 | 5p | .680556 | -3.05408166 |
| 5 | 2p | 5.944599 | .03414185 |
| 6 | 5p | 15.949132 | -.00105751 |
| 7 | 4p | 23.755096 | -.00031707 |
| 8 | 2p | .494651 | .59816601 |
| ORB.ENERGY,a.u. | -.224310 | ||
| NORM | 1.000004 | < R > | 9.742400 | < R2 > | 106.733704 | < 1/R > | .145312 | < 1/R**2 > | .080737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.200649 | 1.35722917 |
| 2 | 3p | 3.890184 | -.42355089 |
| 3 | 2p | 8.547947 | .06357625 |
| 4 | 4p | 9.712033 | .01774462 |
| 5 | 5p | 46.542857 | .00002498 |
| 6 | 5p | 2.440973 | .02746978 |
| 7 | 4p | 67.745006 | .00000669 |
| 8 | 4p | 2.151650 | -.03053392 |
| ORB.ENERGY,a.u. | -3.411800 | ||
| NORM | 1.000000 | < R > | .689390 | < R2 > | .591980 | < 1/R > | 1.895931 | < 1/R**2 > | 5.053109 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074712 | .33484424 |
| 2 | 2s | 4.232238 | -.82954016 |
| 3 | 3s | 3.565683 | -.29470633 |
| 4 | 4s | 13.943833 | .01096995 |
| 5 | 3s | 15.526182 | .00448718 |
| 6 | 5s | 28.632010 | .00035548 |
| 7 | 5s | 2.861300 | -.00050699 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727727 | < R2 > | .629269 | < 1/R > | 1.991916 | < 1/R**2 > | 16.291300 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243441 | .91124299 |
| 2 | 1s | 15.433651 | .08736707 |
| 3 | 2s | 5.654289 | .01837822 |
| 4 | 3s | 7.090069 | -.01931431 |
| 5 | 4s | 9.039838 | .00952626 |
| 6 | 5s | 26.195893 | .00114147 |
| 7 | 4s | 61.529244 | -.00004760 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027372 | < 1/R > | 10.616915 | < 1/R**2 > | 227.841239 |
Total Energy= -157.64654655 a.u.
Kinetic Energy= 157.64803472 a.u.
Potential Energy= -315.29458127 a.u.
Virial Ratio = -1.99999056