(1s 1 4d 1 ) 3 D P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 3.665030 | 1.80807579 |
| 2 | 4d | 3.489700 | -2.31349592 |
| 3 | 3d | 13.435739 | .00062812 |
| 4 | 4d | 2.818071 | .00234089 |
| 5 | 5d | 20.872573 | -.00018304 |
| ORB.ENERGY,a.u. | -6.467300 | ||
| NORM | 1.000001 | < R > | 1.499327 | < R2 > | 2.569321 | < 1/R > | .875684 | < 1/R**2 > | 1.227941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760169 | .88938068 |
| 2 | 1s | 17.407130 | .10545823 |
| 3 | 2s | 16.040284 | .01066229 |
| 4 | 3s | 15.837162 | -.00514338 |
| 5 | 4s | 24.999595 | .00002361 |
| 6 | 5s | 16.117447 | .00000883 |
| ORB.ENERGY,a.u. | -111.940000 |
| NORM | 1.000000 | < R > | .100006 | < R2 > | .013335 | < 1/R > | 14.999500 | < 1/R**2 > | 449.977712 |
Total Energy= -118.63873908 a.u.
Kinetic Energy= 118.62705475 a.u.
Potential Energy= -237.26579383 a.u.
Virial Ratio = -2.00009850