(1s 2 2s 2 2p 5 3d 1 ) 1 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | .674124 | .99390709 |
| 2 | 3d | 3.179997 | .00407881 |
| 3 | 4d | 3.378482 | -.00400906 |
| 4 | 5d | 20.288051 | .00002120 |
| 5 | 5d | .688445 | .00779862 |
| ORB.ENERGY,a.u. | -.223910 | ||
| NORM | 1.000000 | < R > | 5.210812 | < R2 > | 31.039512 | < 1/R > | .223961 | < 1/R**2 > | .060245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.841497 | 1.41478391 |
| 2 | 3p | 3.462724 | -.51630412 |
| 3 | 2p | 7.757099 | .09993815 |
| 4 | 4p | 8.631093 | .02636121 |
| 5 | 5p | 2.168467 | .04412824 |
| 6 | 4p | 1.911232 | -.05041674 |
| 7 | 5p | 14.356712 | .00132923 |
| ORB.ENERGY,a.u. | -2.267900 | ||
| NORM | 1.000000 | < R > | .738401 | < R2 > | .688581 | < 1/R > | 1.797175 | < 1/R**2 > | 4.610903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.127447 | .32107022 |
| 2 | 2s | 4.175215 | -.80918412 |
| 3 | 3s | 3.327931 | -.32041909 |
| 4 | 4s | 14.720092 | .01179047 |
| 5 | 3s | 20.115543 | .00190820 |
| 6 | 5s | 27.791163 | .00052270 |
| 7 | 5s | 2.356662 | -.00458862 |
| 8 | 4s | 2.629342 | .00692233 |
| 9 | 3s | 1.401988 | .00128649 |
| 10 | 2s | 77.427150 | .00000234 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753030 | < R2 > | .678076 | < 1/R > | 1.927005 | < 1/R**2 > | 15.316095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91336940 |
| 2 | 1s | 15.492794 | .08642424 |
| 3 | 2s | 5.346035 | .01504100 |
| 4 | 3s | 7.014712 | -.01793810 |
| 5 | 4s | 9.114012 | .01105098 |
| 6 | 5s | 25.923297 | .00104929 |
| 7 | 4s | 58.324966 | -.00005719 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142772 | < R2 > | .027437 | < 1/R > | 10.611081 | < 1/R**2 > | 227.652481 |
Total Energy= -160.22377142 a.u.
Kinetic Energy= 160.22132161 a.u.
Potential Energy= -320.44509304 a.u.
Virial Ratio = -2.00001529