(1s 2 2s 2 2p 2 3d 1 ) 4 D Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4232.
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 | 4.094119 | 1.07688263 |
| 2 | 3d | 8.335310 | .04845835 |
| 3 | 4d | 4.468310 | -.11312550 |
| 4 | 5d | 28.888222 | -.00023063 |
| 5 | 5d | 3.313798 | -.00087888 |
| ORB.ENERGY,a.u. | -8.342600 | ||
| NORM | 1.000000 | < R > | .818175 | < R2 > | .772097 | < 1/R > | 1.443966 | < 1/R**2 > | 2.545267 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.188935 | 1.17109518 |
| 2 | 3p | 8.192520 | -.18268629 |
| 3 | 2p | 18.369234 | .01464071 |
| 4 | 4p | 12.762427 | .00053426 |
| 5 | 5p | 14.609923 | -.01332042 |
| 6 | 5p | 6.694911 | .00310755 |
| 7 | 4p | 12.453268 | .00503699 |
| 8 | 3p | 54.048561 | .00003270 |
| ORB.ENERGY,a.u. | -23.783000 | ||
| NORM | 1.000000 | < R > | .330423 | < R2 > | .132565 | < 1/R > | 3.836676 | < 1/R**2 > | 19.971009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.049158 | .43689379 |
| 2 | 2s | 7.994748 | -.87145322 |
| 3 | 3s | 8.105361 | -.28750612 |
| 4 | 4s | 30.140871 | .00188596 |
| 5 | 3s | 16.880718 | .01530187 |
| 6 | 5s | 7.960901 | -.02070675 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .379763 | < R2 > | .169019 | < 1/R > | 3.871847 | < 1/R**2 > | 60.797288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068605 | .92683198 |
| 2 | 1s | 25.713652 | .07171090 |
| 3 | 2s | 15.781398 | .01936331 |
| 4 | 3s | 19.685548 | -.01554988 |
| 5 | 5s | 42.538290 | .00077786 |
| 6 | 4s | 99.358446 | -.00003382 |
| 7 | 5s | 12.538985 | .00024601 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085560 | < R2 > | .009807 | < 1/R > | 17.624555 | < 1/R**2 > | 625.053434 |
Total Energy= -438.69333691 a.u.
Kinetic Energy= 438.73943636 a.u.
Potential Energy= -877.43277327 a.u.
Virial Ratio = -1.99989493