(1s 2 2s 2 2p 4 5p 1 ) 4 S Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4051.
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 | .493643 | .59075967 |
| 2 | 2p | 2.868405 | .08020676 |
| 3 | 3p | 1.106887 | -1.16393388 |
| 4 | 4p | .728481 | 2.84601159 |
| 5 | 5p | .672827 | -3.10692870 |
| 6 | 2p | 5.728895 | .03889701 |
| 7 | 5p | 14.448761 | -.00125269 |
| 8 | 4p | 21.647984 | -.00042689 |
| ORB.ENERGY,a.u. | -.220760 | ||
| NORM | .999994 | < R > | 9.895466 | < R2 > | 110.125284 | < 1/R > | .142170 | < 1/R**2 > | .074444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.180335 | 1.27376408 |
| 2 | 2p | 8.082470 | .08336636 |
| 3 | 3p | 3.791534 | -.36473569 |
| 4 | 4p | 9.130849 | .02216720 |
| 5 | 5p | 28.102107 | -.00013689 |
| 6 | 5p | .972880 | .00206871 |
| 7 | 4p | 2.556644 | .00288450 |
| 8 | 3p | .484270 | -.00217913 |
| ORB.ENERGY,a.u. | -3.408200 | ||
| NORM | 1.000000 | < R > | .689185 | < R2 > | .591624 | < 1/R > | 1.896308 | < 1/R**2 > | 5.054702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074380 | .33486489 |
| 2 | 2s | 4.232731 | -.82957121 |
| 3 | 3s | 3.564995 | -.29485771 |
| 4 | 4s | 13.921909 | .01106899 |
| 5 | 3s | 15.599730 | .00445560 |
| 6 | 5s | 28.333799 | .00037047 |
| 7 | 5s | 2.688850 | -.00040659 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727719 | < R2 > | .629252 | < 1/R > | 1.991929 | < 1/R**2 > | 16.291463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243441 | .91124283 |
| 2 | 1s | 15.433648 | .08736707 |
| 3 | 2s | 5.654212 | .01837892 |
| 4 | 3s | 7.090005 | -.01931453 |
| 5 | 4s | 9.039713 | .00952638 |
| 6 | 5s | 26.195477 | .00114145 |
| 7 | 4s | 61.529535 | -.00004761 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027372 | < 1/R > | 10.616913 | < 1/R**2 > | 227.841163 |
Total Energy= -157.64659157 a.u.
Kinetic Energy= 157.64446970 a.u.
Potential Energy= -315.29106127 a.u.
Virial Ratio = -2.00001346