(1s 2 2s 2 4s 1 ) 2 S Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 8.895153 | .11475221 |
| 2 | 2s | 2.396178 | -1.25347593 |
| 3 | 3s | 2.065145 | 3.42910283 |
| 4 | 4s | 1.893345 | -2.97247610 |
| 5 | 5s | 4.079542 | .12048525 |
| 6 | 4s | 8.346388 | -.03114388 |
| 7 | 5s | 24.500073 | .00031487 |
| 8 | 4s | .821312 | -.00052841 |
| ORB.ENERGY,a.u. | -1.757300 | ||
| NORM | .999998 | < R > | 3.002885 | < R2 > | 10.124850 | < 1/R > | .478696 | < 1/R**2 > | 1.803231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.398989 | .36578854 |
| 2 | 2s | 4.229903 | -.79128536 |
| 3 | 3s | 5.486820 | -.28179833 |
| 4 | 5s | 10.407315 | -.02184445 |
| 5 | 4s | 21.090935 | .00432262 |
| 6 | 5s | 29.909562 | -.00083286 |
| 7 | 4s | 5.380067 | .00455182 |
| 8 | 4s | 1.775633 | .00054004 |
| ORB.ENERGY,a.u. | -9.139400 | ||
| NORM | 1.000000 | < R > | .636488 | < R2 > | .473700 | < 1/R > | 2.289303 | < 1/R**2 > | 21.134891 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.348557 | .94538208 |
| 2 | 1s | 17.428193 | .05302679 |
| 3 | 2s | 10.584511 | .01982099 |
| 4 | 3s | 12.842780 | -.01573128 |
| 5 | 5s | 23.776192 | .00146894 |
| 6 | 4s | 54.285597 | -.00010038 |
| ORB.ENERGY,a.u. | -49.435000 |
| NORM | 1.000000 | < R > | .141469 | < R2 > | .026822 | < 1/R > | 10.671798 | < 1/R**2 > | 229.653386 |
Total Energy= -136.54406734 a.u.
Kinetic Energy= 136.54406449 a.u.
Potential Energy= -273.08813183 a.u.
Virial Ratio = -2.00000002