(1s 2 2s 2 2p 6 3s 2 3p 2 4s 1 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 12.063981 | .02077435 |
| 2 | 2s | 4.834588 | -.08524772 |
| 3 | 3s | 3.079454 | .07336187 |
| 4 | 4s | .604220 | -.67333823 |
| 5 | 5s | 1.029911 | -.23546919 |
| 6 | 4s | 24.833443 | .00024966 |
| 7 | 5s | 5.716695 | -.01256880 |
| 8 | 3s | 1.845645 | .18186589 |
| 9 | 2s | .356922 | -.13728247 |
| ORB.ENERGY,a.u. | -.238640 | ||
| NORM | 1.000000 | < R > | 6.958246 | < R2 > | 54.508829 | < 1/R > | .173306 | < 1/R**2 > | .137653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.113714 | .26228214 |
| 2 | 2p | 1.083053 | -.85967834 |
| 3 | 3p | 1.967322 | -.29803087 |
| 4 | 2p | 8.116267 | .08515551 |
| 5 | 4p | 1.194710 | .10966892 |
| 6 | 3p | 12.162665 | -.00463966 |
| 7 | 4p | 29.646770 | -.00016378 |
| 8 | 5p | .605493 | .00089388 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.134189 | < R2 > | 5.305763 | < 1/R > | .617441 | < 1/R**2 > | .839875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.168653 | 1.74433765 |
| 2 | 1s | 14.215756 | .04138197 |
| 3 | 2s | 5.161094 | -.91079959 |
| 4 | 3s | .701195 | -.23091792 |
| 5 | 4s | 4.107778 | -.31589425 |
| 6 | 5s | 6.629300 | -.11967007 |
| 7 | 4s | .821073 | .17998884 |
| 8 | 3s | 46.415411 | -.00030565 |
| 9 | 4s | 67.699773 | .00009778 |
| 10 | 2s | 136.649192 | -.00000349 |
| 11 | 5s | .582751 | .00197325 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000001 | < R > | 1.844237 | < R2 > | 3.915536 | < 1/R > | .726088 | < 1/R**2 > | 2.978097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.373177 | .42800045 |
| 2 | 3p | 6.500519 | .49510422 |
| 3 | 2p | 20.146799 | .00249412 |
| 4 | 4p | 5.239041 | .18075042 |
| 5 | 5p | 4.025945 | .01290468 |
| 6 | 3p | 38.872148 | .00006287 |
| 7 | 4p | 87.119892 | -.00000233 |
| 8 | 3p | 1.615454 | .00087567 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483408 | < R2 > | .291842 | < 1/R > | 2.706404 | < 1/R**2 > | 10.285194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194581 | .35988428 |
| 2 | 2s | 5.437935 | -.77666558 |
| 3 | 3s | 4.856705 | -.17146618 |
| 4 | 4s | 23.639523 | .00226506 |
| 5 | 2s | 6.760235 | -.17609658 |
| 6 | 3s | 15.382133 | .00816960 |
| 7 | 5s | 4.009117 | -.00311529 |
| 8 | 4s | 2.074866 | -.00021466 |
| 9 | 5s | 48.331997 | .00005221 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515316 | < R2 > | .315443 | < 1/R > | 2.833500 | < 1/R**2 > | 33.095406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.394187 | -.00021631 |
| 2 | 1s | 14.570410 | 1.01425887 |
| 3 | 2s | 21.105086 | -.02188098 |
| 4 | 3s | 11.321140 | .01689908 |
| 5 | 4s | 20.111287 | -.00094960 |
| 6 | 5s | 17.688698 | .00342760 |
| 7 | 5s | 62.546331 | -.00003185 |
| 8 | 4s | 12.076572 | -.00660064 |
| 9 | 2s | 54.238213 | .00013050 |
| 10 | 3s | 7.514719 | .00141138 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573874 | < 1/R**2 > | 428.620754 |
Total Energy= -340.46597299 a.u.
Kinetic Energy= 340.46125586 a.u.
Potential Energy= -680.92722886 a.u.
Virial Ratio = -2.00001386