(1s 2 2s 2 2p 2 4p 1 ) 2 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 7.382660 | .24657390 |
| 2 | 3p | 2.424156 | -.57071006 |
| 3 | 5p | 2.847955 | 1.51234256 |
| 4 | 4p | 4.169057 | -.66306935 |
| 5 | 5p | 9.237222 | .03523019 |
| 6 | 4p | 21.675443 | -.00227665 |
| 7 | 5p | 2.447441 | .13321596 |
| 8 | 5p | 48.872451 | -.00025052 |
| 9 | 4p | 76.245909 | -.00004670 |
| ORB.ENERGY,a.u. | -3.408800 | ||
| NORM | 1.000000 | < R > | 2.112847 | < R2 > | 5.044028 | < 1/R > | .654652 | < 1/R**2 > | 1.128735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.573991 | 1.19758952 |
| 2 | 3p | 8.903888 | -.24972506 |
| 3 | 4p | 11.473848 | .05019255 |
| 4 | 5p | 2.839472 | .05000682 |
| 5 | 4p | 2.622435 | -.03638375 |
| 6 | 5p | 21.383848 | .00234126 |
| 7 | 3p | 45.062338 | .00000690 |
| ORB.ENERGY,a.u. | -17.871000 | ||
| NORM | 1.000000 | < R > | .377125 | < R2 > | .173432 | < 1/R > | 3.361630 | < 1/R**2 > | 15.330098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.593261 | .42315302 |
| 2 | 2s | 6.993008 | -.86281821 |
| 3 | 3s | 7.151144 | -.28382284 |
| 4 | 4s | 27.262288 | .00208097 |
| 5 | 3s | 14.446420 | .01982816 |
| 6 | 5s | 7.235792 | -.02772597 |
| 7 | 4s | 1.120877 | .00122387 |
| 8 | 5s | 1.313263 | -.00115773 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433655 | < R2 > | .220409 | < 1/R > | 3.381417 | < 1/R**2 > | 46.403719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111197 | .92674638 |
| 2 | 1s | 23.114507 | .07199899 |
| 3 | 2s | 14.082306 | .01950054 |
| 4 | 3s | 17.757478 | -.01558723 |
| 5 | 5s | 37.616097 | .00090293 |
| 6 | 4s | 89.400195 | -.00003583 |
| 7 | 5s | 12.094151 | .00034186 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096571 | < R2 > | .012501 | < 1/R > | 15.625389 | < 1/R**2 > | 491.672410 |
Total Energy= -338.36036910 a.u.
Kinetic Energy= 338.33494665 a.u.
Potential Energy= -676.69531575 a.u.
Virial Ratio = -2.00007514