(1s 2 2s 2 3p 1 ) 2 P P 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 4.783996 | .84385523 |
| 2 | 3p | 3.770893 | -1.49096742 |
| 3 | 2p | 10.374843 | .05933752 |
| 4 | 4p | 11.374251 | .01576401 |
| 5 | 5p | 19.417435 | .00203618 |
| 6 | 5p | 3.644404 | .00601295 |
| ORB.ENERGY,a.u. | -7.245100 | ||
| NORM | 1.000000 | < R > | 1.053984 | < R2 > | 1.278954 | < 1/R > | 1.319657 | < 1/R**2 > | 3.610248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.649460 | .39391621 |
| 2 | 2s | 6.049911 | -.80001796 |
| 3 | 3s | 7.945844 | -.29150622 |
| 4 | 5s | 14.588513 | -.01524966 |
| 5 | 4s | 29.236673 | .00262957 |
| 6 | 5s | 5.175813 | -.00029322 |
| 7 | 5s | 42.641586 | -.00040551 |
| ORB.ENERGY,a.u. | -22.872000 | ||
| NORM | 1.000000 | < R > | .448313 | < R2 > | .234925 | < 1/R > | 3.276247 | < 1/R**2 > | 43.278116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.216148 | .93726719 |
| 2 | 1s | 22.963788 | .05893338 |
| 3 | 2s | 16.118959 | .02005542 |
| 4 | 3s | 17.688038 | -.01407947 |
| 5 | 5s | 33.566696 | .00102103 |
| 6 | 4s | 76.326670 | -.00006312 |
| 7 | 5s | 6.922488 | -.00006961 |
| ORB.ENERGY,a.u. | -96.744000 |
| NORM | 1.000000 | < R > | .102778 | < R2 > | .014139 | < 1/R > | 14.665642 | < 1/R**2 > | 432.806038 |
Total Energy= -265.73822563 a.u.
Kinetic Energy= 265.73822651 a.u.
Potential Energy= -531.47645215 a.u.
Virial Ratio = -2.00000000