(1s 2 2s 2 2p 4 ) 3 P Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 3.592796 | 1.56909363 |
| 2 | 3p | 4.783532 | -.72311305 |
| 3 | 4p | 6.021405 | .13782962 |
| 4 | 5p | 3.036840 | .03839029 |
| 5 | 4p | 16.611380 | -.00376784 |
| 6 | 4p | 31.841692 | -.00036716 |
| 7 | 5p | 2.589693 | -.01570705 |
| 8 | 3p | 1.690939 | .00427529 |
| 9 | 5p | 94.980035 | -.00001332 |
| ORB.ENERGY,a.u. | -3.568000 | ||
| NORM | 1.000000 | < R > | .689043 | < R2 > | .591278 | < 1/R > | 1.896599 | < 1/R**2 > | 5.056068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.075617 | .33491731 |
| 2 | 2s | 4.108679 | -.89171753 |
| 3 | 3s | 3.463281 | -.21306843 |
| 4 | 4s | 13.104954 | .00507664 |
| 5 | 3s | 12.906428 | .01096045 |
| 6 | 5s | 4.630246 | -.01594933 |
| 7 | 3s | 26.612384 | -.00028917 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .727422 | < R2 > | .628671 | < 1/R > | 1.992683 | < 1/R**2 > | 16.302772 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.154672 | .90177113 |
| 2 | 1s | 15.452612 | .09863554 |
| 3 | 2s | 8.259339 | .01760596 |
| 4 | 3s | 12.434770 | -.01538531 |
| 5 | 4s | 19.641363 | .00397294 |
| 6 | 5s | 37.344802 | .00017081 |
| 7 | 5s | 6.530177 | .00072937 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142637 | < R2 > | .027371 | < 1/R > | 10.617049 | < 1/R**2 > | 227.845662 |
Total Energy= -157.42372943 a.u.
Kinetic Energy= 157.42372337 a.u.
Potential Energy= -314.84745281 a.u.
Virial Ratio = -2.00000004