(1s 2 2s 2 2p 5 4p 1 ) 3 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 3.033968 | .06174025 |
| 2 | 3p | .567851 | -.61274340 |
| 3 | 4p | .330040 | 1.19510363 |
| 4 | 5p | 1.551831 | -.03827611 |
| 5 | 2p | 7.480557 | .00479187 |
| 6 | 5p | 5.845236 | -.00564651 |
| 7 | 3p | 14.438161 | -.00005790 |
| 8 | 5p | .298920 | -.02540555 |
| ORB.ENERGY,a.u. | -.049883 | ||
| NORM | 1.000000 | < R > | 14.147655 | < R2 > | 228.069518 | < 1/R > | .095589 | < 1/R**2 > | .025590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.701467 | .12477851 |
| 2 | 2p | 2.544637 | .60115984 |
| 3 | 2p | 4.521459 | .30591068 |
| 4 | 2p | 10.067984 | .01874649 |
| 5 | 4p | 2.148220 | .02113121 |
| 6 | 4p | 10.505406 | .01110537 |
| 7 | 3p | .817153 | -.01979567 |
| 8 | 3p | 14.904015 | .00146395 |
| 9 | 5p | 1.090925 | .01466650 |
| ORB.ENERGY,a.u. | -1.315000 | ||
| NORM | 1.000000 | < R > | .876181 | < R2 > | .982915 | < 1/R > | 1.536579 | < 1/R**2 > | 3.419096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.490859 | .29747452 |
| 2 | 2s | 3.738185 | -.78230719 |
| 3 | 3s | 2.888311 | -.34457163 |
| 4 | 4s | 13.017706 | .01828501 |
| 5 | 3s | 20.954723 | .00442494 |
| 6 | 5s | 1.944141 | -.02234375 |
| 7 | 5s | 22.511012 | .00228459 |
| 8 | 4s | 1.606561 | .02801134 |
| 9 | 3s | 1.210114 | -.00722740 |
| 10 | 2s | 36.632360 | .00023426 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860400 | < R2 > | .890581 | < 1/R > | 1.685414 | < 1/R**2 > | 11.733820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242345 | .92183652 |
| 2 | 1s | 14.461580 | .08150285 |
| 3 | 2s | 5.571880 | .00864333 |
| 4 | 3s | 13.448615 | -.00710050 |
| 5 | 4s | 19.898458 | .00352806 |
| 6 | 5s | 29.515693 | -.00008938 |
| 7 | 5s | 3.698385 | .00023968 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620029 | < 1/R**2 > | 187.253133 |
Total Energy= -127.86719249 a.u.
Kinetic Energy= 127.86769621 a.u.
Potential Energy= -255.73488870 a.u.
Virial Ratio = -1.99999606