(1s 2 2s 1 4d 1 ) 1 D Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 3.622861 | 1.88410196 |
| 2 | 4d | 3.501467 | -2.39140060 |
| 3 | 3d | 10.537607 | .00850631 |
| 4 | 4d | 11.394396 | -.00255034 |
| 5 | 5d | 32.033973 | -.00028120 |
| 6 | 5d | 3.153535 | -.00290002 |
| 7 | 4d | 56.328520 | -.00002545 |
| ORB.ENERGY,a.u. | -6.137800 | ||
| NORM | 1.000000 | < R > | 1.494671 | < R2 > | 2.556716 | < 1/R > | .882045 | < 1/R**2 > | 1.254770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.872578 | .43345404 |
| 2 | 2s | 7.400188 | -.81431580 |
| 3 | 3s | 8.928704 | -.30326451 |
| 4 | 5s | 15.463088 | -.02060115 |
| 5 | 4s | 30.509618 | .00427746 |
| 6 | 5s | 40.489547 | -.00087428 |
| 7 | 5s | 4.341340 | -.00011975 |
| 8 | 3s | 62.377659 | .00004460 |
| ORB.ENERGY,a.u. | -28.834000 | ||
| NORM | 1.000000 | < R > | .381745 | < R2 > | .170005 | < 1/R > | 3.872904 | < 1/R**2 > | 60.428327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395668 | .93937173 |
| 2 | 1s | 25.886657 | .04788305 |
| 3 | 2s | 20.337918 | .01681593 |
| 4 | 3s | 12.182025 | .00142892 |
| 5 | 4s | 68.104832 | -.00041756 |
| 6 | 5s | 90.881736 | .00015280 |
| 7 | 5s | 8.687929 | .00010922 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090337 | < R2 > | .010918 | < 1/R > | 16.674219 | < 1/R**2 > | 558.990139 |
Total Energy= -314.41106982 a.u.
Kinetic Energy= 314.22911797 a.u.
Potential Energy= -628.64018779 a.u.
Virial Ratio = -2.00057904