(1s 2 2s 2 2p 4 4p 1 ) 2 S Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 4.948774 | .11419672 |
| 2 | 3p | 1.236140 | .94163191 |
| 3 | 4p | 1.736277 | -.97160193 |
| 4 | 5p | 3.280415 | -.11133714 |
| 5 | 3p | 8.430262 | -.00579534 |
| 6 | 4p | 1.280769 | -.63968762 |
| 7 | 5p | .973123 | 1.12248044 |
| 8 | 3p | .616677 | .10022928 |
| 9 | 4p | 22.700849 | -.00010102 |
| ORB.ENERGY,a.u. | -.365520 | ||
| NORM | 1.000000 | < R > | 5.870269 | < R2 > | 38.967207 | < 1/R > | .232750 | < 1/R**2 > | .156988 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.445514 | .06776764 |
| 2 | 4p | 9.573531 | .01905587 |
| 3 | 5p | 17.800144 | .00004313 |
| 4 | 4p | 44.454654 | .00002172 |
| 5 | 4p | 1.086313 | .00902218 |
| 6 | 5p | 2.203754 | .00761814 |
| 7 | 3p | 1.108306 | -.01409588 |
| 8 | 2p | 3.206741 | 1.32579397 |
| 9 | 3p | 3.875571 | -.39943078 |
| ORB.ENERGY,a.u. | -3.308400 | ||
| NORM | 1.000000 | < R > | .689298 | < R2 > | .591809 | < 1/R > | 1.896039 | < 1/R**2 > | 5.053400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.075396 | .33466660 |
| 2 | 2s | 4.224351 | -.83274951 |
| 3 | 3s | 3.524539 | -.29724098 |
| 4 | 4s | 13.961511 | .01063936 |
| 5 | 3s | 15.298969 | .00468953 |
| 6 | 5s | 28.897513 | .00032977 |
| 7 | 5s | 4.097430 | .00643237 |
| 8 | 4s | 1.901810 | -.00004677 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728059 | < R2 > | .629919 | < 1/R > | 1.991077 | < 1/R**2 > | 16.278693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243316 | .91124323 |
| 2 | 1s | 15.433681 | .08736792 |
| 3 | 2s | 5.652036 | .01839238 |
| 4 | 3s | 7.084732 | -.01932931 |
| 5 | 4s | 9.032905 | .00954118 |
| 6 | 5s | 26.159943 | .00113483 |
| 7 | 4s | 61.423578 | -.00004933 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142643 | < R2 > | .027374 | < 1/R > | 10.616761 | < 1/R**2 > | 227.836087 |
Total Energy= -157.79398048 a.u.
Kinetic Energy= 157.78921270 a.u.
Potential Energy= -315.58319318 a.u.
Virial Ratio = -2.00003022