(1s 2 2s 2 2p 1 3p 1 ) 1 D S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1231.
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 | 5.137681 | .40011677 |
| 2 | 3p | 3.783420 | -1.33043550 |
| 3 | 2p | 14.929776 | .00350112 |
| 4 | 4p | 6.715780 | .07838791 |
| 5 | 5p | 24.000979 | .00085782 |
| 6 | 4p | 3.409842 | .01459689 |
| 7 | 4p | 41.007188 | .00007048 |
| ORB.ENERGY,a.u. | -7.503800 | ||
| NORM | 1.000000 | < R > | 1.054204 | < R2 > | 1.226999 | < 1/R > | 1.073747 | < 1/R**2 > | 1.490476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.517395 | 1.05675986 |
| 2 | 3p | 3.666687 | -.32665955 |
| 3 | 2p | 11.485113 | .08121512 |
| 4 | 5p | 14.202769 | .00795244 |
| 5 | 4p | 27.091585 | -.00217053 |
| 6 | 5p | 3.179797 | .01200398 |
| 7 | 3p | 33.657446 | -.00041917 |
| 8 | 4p | 2.154688 | -.00644099 |
| 9 | 3p | 1.515771 | .00235509 |
| ORB.ENERGY,a.u. | -19.653000 | ||
| NORM | 1.000000 | < R > | .350225 | < R2 > | .166802 | < 1/R > | 3.681149 | < 1/R**2 > | 18.078202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.769333 | .37756497 |
| 2 | 2s | 6.098768 | -.81095041 |
| 3 | 3s | 8.810021 | -.28349195 |
| 4 | 4s | 29.787055 | .00131534 |
| 5 | 5s | 17.038112 | -.00930272 |
| 6 | 5s | 7.013816 | .01489924 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425768 | < R2 > | .212204 | < 1/R > | 3.449360 | < 1/R**2 > | 48.138639 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.179131 | .92957747 |
| 2 | 1s | 23.184508 | .06742118 |
| 3 | 2s | 14.086906 | .02038606 |
| 4 | 3s | 17.274109 | -.01474413 |
| 5 | 5s | 37.196886 | .00084851 |
| 6 | 4s | 84.536277 | -.00004613 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096404 | < R2 > | .012448 | < 1/R > | 15.642535 | < 1/R**2 > | 492.506445 |
Total Energy= -323.87959493 a.u.
Kinetic Energy= 323.56790687 a.u.
Potential Energy= -647.44750181 a.u.
Virial Ratio = -2.00096328