(1s 2 2s 2 2p 2 3p 1 ) 4 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 3p- electron | |
| 1 | 2p | 5.364285 | .72043562 |
| 2 | 3p | 3.531253 | -1.31073831 |
| 3 | 2p | 13.349585 | .02505935 |
| 4 | 4p | 8.468474 | -.06372980 |
| 5 | 5p | 20.432569 | .00213150 |
| 6 | 5p | 3.656980 | .03015221 |
| ORB.ENERGY,a.u. | -6.430700 | ||
| NORM | 1.000000 | < R > | 1.083132 | < R2 > | 1.345069 | < 1/R > | 1.264419 | < 1/R**2 > | 3.341967 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.159861 | 1.24353812 |
| 2 | 3p | 7.004117 | -.25290233 |
| 3 | 2p | 17.493636 | .01164227 |
| 4 | 4p | 13.365693 | -.00075239 |
| 5 | 5p | 13.689751 | -.00952978 |
| 6 | 5p | 4.106201 | .00157505 |
| 7 | 4p | 58.795247 | .00003551 |
| ORB.ENERGY,a.u. | -17.443000 | ||
| NORM | 1.000000 | < R > | .379529 | < R2 > | .175095 | < 1/R > | 3.344604 | < 1/R**2 > | 15.202939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.647584 | .41928293 |
| 2 | 2s | 6.942708 | -.86291537 |
| 3 | 3s | 7.043219 | -.28411714 |
| 4 | 4s | 26.773128 | .00190491 |
| 5 | 3s | 15.094602 | .01651403 |
| 6 | 5s | 6.722556 | -.02010794 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .434917 | < R2 > | .221841 | < 1/R > | 3.371931 | < 1/R**2 > | 46.168628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.108625 | .92750129 |
| 2 | 1s | 23.194484 | .07127521 |
| 3 | 2s | 14.201833 | .01948083 |
| 4 | 3s | 17.842958 | -.01554438 |
| 5 | 5s | 37.511111 | .00081437 |
| 6 | 4s | 84.350556 | -.00004442 |
| 7 | 5s | 13.203834 | .00042920 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096593 | < R2 > | .012507 | < 1/R > | 15.622945 | < 1/R**2 > | 491.550847 |
Total Energy= -341.26999147 a.u.
Kinetic Energy= 341.35295979 a.u.
Potential Energy= -682.62295127 a.u.
Virial Ratio = -1.99975694