(1s 2 2s 1 3d 1 ) 3 D Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 5.038230 | .99524703 |
| 2 | 3d | 8.889525 | .02260988 |
| 3 | 4d | 15.495572 | -.00165280 |
| 4 | 5d | 5.757332 | -.01323078 |
| 5 | 5d | 28.389600 | -.00016005 |
| ORB.ENERGY,a.u. | -12.696000 | ||
| NORM | 1.000000 | < R > | .685371 | < R2 > | .538041 | < 1/R > | 1.707149 | < 1/R**2 > | 3.510310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.789449 | .42930944 |
| 2 | 2s | 7.734206 | -.81510576 |
| 3 | 3s | 9.631181 | -.29874661 |
| 4 | 5s | 16.996525 | -.01875938 |
| 5 | 4s | 34.528963 | .00238994 |
| 6 | 5s | 49.546422 | -.00040984 |
| ORB.ENERGY,a.u. | -32.206000 | ||
| NORM | 1.000000 | < R > | .360489 | < R2 > | .151681 | < 1/R > | 4.102383 | < 1/R**2 > | 67.800840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363372 | .93832190 |
| 2 | 1s | 27.346763 | .04905354 |
| 3 | 2s | 22.000364 | .01685458 |
| 4 | 3s | 11.971734 | .00103128 |
| 5 | 4s | 72.985460 | -.00039075 |
| 6 | 5s | 97.875365 | .00014316 |
| 7 | 5s | 7.861619 | .00005127 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085202 | < R2 > | .009710 | < 1/R > | 17.674588 | < 1/R**2 > | 627.881082 |
Total Energy= -359.55240501 a.u.
Kinetic Energy= 359.13613245 a.u.
Potential Energy= -718.68853746 a.u.
Virial Ratio = -2.00115909