(1s 2 2s 2 2p 6 3s 2 3p 4 ) 3 P S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 4.738830 | .26143054 |
| 2 | 2p | 1.057631 | -.56208360 |
| 3 | 3p | 2.381943 | -.43174917 |
| 4 | 2p | 14.135225 | .02152704 |
| 5 | 4p | 6.485018 | -.00978436 |
| 6 | 5p | 2.141749 | -.10596955 |
| 7 | 5p | 45.558254 | -.00003396 |
| 8 | 3p | 11.297297 | .03696099 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 2.060714 | < R2 > | 5.065144 | < 1/R > | .650667 | < 1/R**2 > | .941922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 7.655921 | -.06986307 |
| 2 | 1s | 11.979987 | .15602630 |
| 3 | 2s | 5.412413 | -.34887802 |
| 4 | 3s | 2.046230 | .79074074 |
| 5 | 4s | 3.743640 | .23296676 |
| 6 | 3s | 17.235098 | .00363919 |
| 7 | 5s | 1.751335 | .08836787 |
| 8 | 4s | 51.929982 | -.00005210 |
| 9 | 2s | .348042 | .00019215 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.720723 | < R2 > | 3.443223 | < 1/R > | .786103 | < 1/R**2 > | 3.534560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.949234 | .44271536 |
| 2 | 3p | 6.916221 | .50916670 |
| 3 | 4p | 5.539897 | .15057561 |
| 4 | 5p | 3.947075 | .00669080 |
| 5 | 2p | 21.397892 | .00241557 |
| 6 | 3p | 52.483954 | .00002538 |
| 7 | 4p | 1.636179 | .00064290 |
| 8 | 5p | 60.691711 | .00002257 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .441042 | < R2 > | .242088 | < 1/R > | 2.954448 | < 1/R**2 > | 12.202758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.923950 | .36996328 |
| 2 | 2s | 6.882486 | -.73718131 |
| 3 | 3s | 6.020614 | -.38889926 |
| 4 | 4s | 4.873064 | -.02963962 |
| 5 | 3s | 15.742970 | .00938051 |
| 6 | 4s | 26.728220 | .00180036 |
| 7 | 5s | 2.607692 | -.00077299 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475773 | < R2 > | .268530 | < 1/R > | 3.073197 | < 1/R**2 > | 38.899580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563397 | 1.01357974 |
| 2 | 2s | 18.236438 | -.01501732 |
| 3 | 3s | 14.017622 | .01729712 |
| 4 | 4s | 62.525390 | -.00035828 |
| 5 | 4s | 6.677384 | .00184861 |
| 6 | 5s | 82.195597 | .00011269 |
| 7 | 5s | 7.117681 | -.00118334 |
| 8 | 2s | 23.676095 | -.00960465 |
| 9 | 2s | 198.497525 | .00000087 |
| 10 | 3s | 1.724738 | -.00001527 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097151 | < R2 > | .012686 | < 1/R > | 15.566449 | < 1/R**2 > | 488.806584 |
Total Energy= -397.50489306 a.u.
Kinetic Energy= 397.50489271 a.u.
Potential Energy= -795.00978577 a.u.
Virial Ratio = -2.00000000