(1s 2 2s 2 2p 2 4p 1 ) 2 S N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 2.016575 | .08504149 |
| 2 | 3p | .501189 | -.69877798 |
| 3 | 4p | .338331 | 1.10427312 |
| 4 | 5p | 1.182926 | -.05411018 |
| 5 | 2p | 4.802287 | .00918245 |
| 6 | 5p | .324307 | .17338947 |
| 7 | 5p | 6.813879 | .00249882 |
| ORB.ENERGY,a.u. | -.048129 | ||
| NORM | .999999 | < R > | 14.799438 | < R2 > | 248.361619 | < 1/R > | .090782 | < 1/R**2 > | .022856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.749151 | .72504859 |
| 2 | 2p | 2.993196 | .28289900 |
| 3 | 2p | 6.841953 | .01595911 |
| 4 | 3p | 1.113627 | .02630385 |
| 5 | 5p | 11.939070 | .00022623 |
| 6 | 2p | 5.995403 | .00463920 |
| 7 | 5p | 8.086859 | .00458733 |
| 8 | 5p | 1.226222 | -.00752749 |
| ORB.ENERGY,a.u. | -.956520 | ||
| NORM | 1.000000 | < R > | 1.244542 | < R2 > | 1.935529 | < 1/R > | 1.055418 | < 1/R**2 > | 1.579137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.894507 | .28635967 |
| 2 | 2s | 2.458204 | -.83149129 |
| 3 | 3s | 1.986429 | -.26657773 |
| 4 | 4s | 8.210427 | .02111212 |
| 5 | 3s | 9.575968 | .00869720 |
| 6 | 5s | 2.839969 | -.01568088 |
| 7 | 5s | 16.634801 | .00078548 |
| 8 | 3s | 1.287631 | -.00218071 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.253458 | < R2 > | 1.876389 | < 1/R > | 1.140339 | < 1/R**2 > | 5.282602 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229878 | .71794258 |
| 2 | 1s | 9.302375 | .22514658 |
| 3 | 1s | 2.657996 | .00487113 |
| 4 | 2s | 6.904643 | .08340249 |
| 5 | 3s | 7.777720 | -.02158334 |
| 6 | 4s | 12.681012 | .00688632 |
| 7 | 5s | 28.042078 | .00017104 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228089 | < R2 > | .070097 | < 1/R > | 6.656656 | < 1/R**2 > | 89.909512 |
Total Energy= -53.93320045 a.u.
Kinetic Energy= 53.93613962 a.u.
Potential Energy= -107.86934007 a.u.
Virial Ratio = -1.99994551