(1s 2 2s 2 2p 1 5d 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | 1.548928 | 1.46730628 |
| 2 | 4d | 1.306189 | -4.13197595 |
| 3 | 5d | 1.193694 | 3.34839587 |
| 4 | 3d | 3.871468 | .04895289 |
| 5 | 5d | .927032 | -.01994897 |
| 6 | 5d | 5.703312 | -.00956756 |
| 7 | 4d | 22.601630 | .00005915 |
| 8 | 3d | 41.364729 | .00000273 |
| ORB.ENERGY,a.u. | -.736630 | ||
| NORM | 1.000002 | < R > | 5.598502 | < R2 > | 35.618562 | < 1/R > | .250427 | < 1/R**2 > | .132348 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.150609 | 1.07544716 |
| 2 | 3p | 5.031811 | -.10734271 |
| 3 | 2p | 9.763097 | .02931585 |
| 4 | 5p | 12.138905 | .00583585 |
| 5 | 4p | 24.057275 | -.00042068 |
| 6 | 5p | 4.515543 | .00773373 |
| 7 | 5p | 77.298503 | -.00000736 |
| ORB.ENERGY,a.u. | -7.397000 | ||
| NORM | 1.000000 | < R > | .584100 | < R2 > | .414674 | < 1/R > | 2.175700 | < 1/R**2 > | 6.451929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.720044 | .33582532 |
| 2 | 2s | 3.808566 | -.79576051 |
| 3 | 3s | 5.831391 | -.27449801 |
| 4 | 4s | 20.920300 | .00159243 |
| 5 | 5s | 11.464725 | -.01578113 |
| 6 | 5s | 4.314014 | .02321763 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657409 | < R2 > | .506819 | < 1/R > | 2.211404 | < 1/R**2 > | 19.812676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216489 | .92213521 |
| 2 | 1s | 16.041085 | .08038594 |
| 3 | 2s | 9.081568 | .01631121 |
| 4 | 3s | 11.636619 | -.01588260 |
| 5 | 4s | 57.728966 | -.00006582 |
| 6 | 5s | 25.337241 | .00122217 |
| 7 | 5s | 6.768444 | .00013192 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141852 | < R2 > | .026999 | < 1/R > | 10.653471 | < 1/R**2 > | 229.044955 |
Total Energy= -143.18716468 a.u.
Kinetic Energy= 143.18291051 a.u.
Potential Energy= -286.37007519 a.u.
Virial Ratio = -2.00002971