(1s 2 2s 2 2p 5 4d 1 ) 3 F Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | .574738 | 1.36309222 |
| 2 | 4d | .499730 | -1.86035246 |
| 3 | 3d | 2.884236 | .02028446 |
| 4 | 5d | 4.723498 | -.00344427 |
| 5 | 4d | 1.647355 | .02022200 |
| 6 | 4d | 15.979168 | .00004590 |
| ORB.ENERGY,a.u. | -.127360 | ||
| NORM | .999998 | < R > | 10.230416 | < R2 > | 120.158923 | < 1/R > | .130959 | < 1/R**2 > | .029022 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.840844 | 1.39495042 |
| 2 | 3p | 3.459083 | -.49897620 |
| 3 | 2p | 7.689821 | .10374023 |
| 4 | 4p | 8.590974 | .02743327 |
| 5 | 5p | 2.327652 | .03703825 |
| 6 | 4p | 2.099415 | -.04349192 |
| 7 | 5p | 27.387598 | -.00015406 |
| 8 | 4p | 12.151005 | .00106648 |
| ORB.ENERGY,a.u. | -2.404900 | ||
| NORM | 1.000000 | < R > | .738715 | < R2 > | .689437 | < 1/R > | 1.796825 | < 1/R**2 > | 4.609666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.126112 | .32116190 |
| 2 | 2s | 4.161720 | -.81471620 |
| 3 | 3s | 3.308151 | -.31533540 |
| 4 | 4s | 14.769713 | .01150134 |
| 5 | 3s | 19.408415 | .00192656 |
| 6 | 5s | 29.260695 | .00040717 |
| 7 | 5s | 2.210262 | -.02597058 |
| 8 | 4s | 1.951253 | .03011717 |
| 9 | 3s | .795835 | -.00018204 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .752985 | < R2 > | .677982 | < 1/R > | 1.927107 | < 1/R**2 > | 15.317594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337017 |
| 2 | 1s | 15.492983 | .08642325 |
| 3 | 2s | 5.346254 | .01503963 |
| 4 | 3s | 7.015139 | -.01793710 |
| 5 | 4s | 9.114741 | .01104926 |
| 6 | 5s | 25.938802 | .00104987 |
| 7 | 4s | 58.285580 | -.00005670 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611099 | < 1/R**2 > | 227.653090 |
Total Energy= -160.12499773 a.u.
Kinetic Energy= 160.12476903 a.u.
Potential Energy= -320.24976676 a.u.
Virial Ratio = -2.00000143