(1s 2 2s 2 2p 4 3p 1 ) 2 D Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p | .979180 | -.96509284 |
| 2 | 2p | 2.279837 | .20793850 |
| 3 | 2p | 6.072683 | .04385974 |
| 4 | 4p | 7.538737 | .00983265 |
| 5 | 5p | .959790 | -.09335637 |
| 6 | 5p | 3.961059 | -.02667125 |
| 7 | 3p | 19.673912 | -.00002066 |
| ORB.ENERGY,a.u. | -.356640 | ||
| NORM | 1.000000 | < R > | 3.835973 | < R2 > | 16.790900 | < 1/R > | .325880 | < 1/R**2 > | .213094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.591155 | .63960120 |
| 2 | 2p | 4.837148 | .30229257 |
| 3 | 2p | 9.366208 | .02081416 |
| 4 | 3p | 4.100335 | .07988975 |
| 5 | 4p | 1.430317 | -.00963064 |
| 6 | 4p | 9.777290 | .00624186 |
| 7 | 3p | 1.688205 | .02079025 |
| 8 | 5p | 21.370236 | -.00023920 |
| 9 | 5p | .839308 | -.00067121 |
| ORB.ENERGY,a.u. | -1.893500 | ||
| NORM | 1.000000 | < R > | .804197 | < R2 > | .810803 | < 1/R > | 1.638394 | < 1/R**2 > | 3.808525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.316951 | .31754726 |
| 2 | 2s | 3.733338 | -.82552458 |
| 3 | 3s | 3.015216 | -.30063332 |
| 4 | 4s | 12.828051 | .01181818 |
| 5 | 3s | 14.334148 | .00441826 |
| 6 | 5s | 27.100319 | .00029738 |
| 7 | 5s | 1.990733 | -.00959008 |
| 8 | 3s | 1.567558 | .01338163 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .829591 | < R2 > | .821562 | < 1/R > | 1.744107 | < 1/R**2 > | 12.503964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.239426 | .89773660 |
| 2 | 1s | 13.931774 | .09966697 |
| 3 | 1s | 4.616304 | -.00015120 |
| 4 | 2s | 6.943899 | .01555254 |
| 5 | 3s | 10.901050 | -.00723510 |
| 6 | 4s | 18.670263 | .00291129 |
| 7 | 5s | 60.987641 | -.00003239 |
| 8 | 5s | 5.460741 | .00058653 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157466 | < R2 > | .033377 | < 1/R > | 9.623735 | < 1/R**2 > | 187.360522 |
Total Energy= -126.73108465 a.u.
Kinetic Energy= 126.72872765 a.u.
Potential Energy= -253.45981230 a.u.
Virial Ratio = -2.00001860