(1s 2 2s 2 2p 4 5p 1 ) 2 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 5p- electron | |
| 1 | 2p | 2.908821 | .08467360 |
| 2 | 3p | 1.124975 | -1.14190209 |
| 3 | 4p | .729098 | 2.84141859 |
| 4 | 5p | .676863 | -3.11506753 |
| 5 | 2p | 5.893758 | .03490476 |
| 6 | 5p | 15.346987 | -.00095706 |
| 7 | 4p | 22.834762 | -.00032026 |
| 8 | 2p | .505675 | .58019132 |
| ORB.ENERGY,a.u. | -.222160 | ||
| NORM | .999993 | < R > | 9.839919 | < R2 > | 108.863025 | < 1/R > | .142688 | < 1/R**2 > | .074399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.133758 | 1.26206481 |
| 2 | 3p | 3.695956 | -.36436464 |
| 3 | 2p | 7.890572 | .09440162 |
| 4 | 4p | 8.905914 | .02507440 |
| 5 | 5p | .578723 | -.01096897 |
| 6 | 5p | 29.255690 | -.00014902 |
| 7 | 4p | .499964 | .01017618 |
| ORB.ENERGY,a.u. | -3.409600 | ||
| NORM | 1.000000 | < R > | .689159 | < R2 > | .591649 | < 1/R > | 1.896320 | < 1/R**2 > | 5.054658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074407 | .33486264 |
| 2 | 2s | 4.232672 | -.82957309 |
| 3 | 3s | 3.564992 | -.29484458 |
| 4 | 4s | 13.924429 | .01106093 |
| 5 | 3s | 15.594571 | .00445636 |
| 6 | 5s | 28.362433 | .00036909 |
| 7 | 5s | 2.696645 | -.00040657 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727720 | < R2 > | .629254 | < 1/R > | 1.991926 | < 1/R**2 > | 16.291401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243441 | .91124301 |
| 2 | 1s | 15.433654 | .08736705 |
| 3 | 2s | 5.654266 | .01837822 |
| 4 | 3s | 7.090119 | -.01931422 |
| 5 | 4s | 9.039809 | .00952646 |
| 6 | 5s | 26.196362 | .00114150 |
| 7 | 4s | 61.528077 | -.00004758 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142640 | < R2 > | .027372 | < 1/R > | 10.616916 | < 1/R**2 > | 227.841249 |
Total Energy= -157.64660679 a.u.
Kinetic Energy= 157.64588340 a.u.
Potential Energy= -315.29249019 a.u.
Virial Ratio = -2.00000459