(1s 2 2s 2 2p 2 4p 1 ) 2 P Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4.927241 | .15707792 |
| 2 | 3p | 1.030586 | -.50366753 |
| 3 | 5p | 1.475434 | 1.39764358 |
| 4 | 4p | 2.254499 | -.69551445 |
| 5 | 5p | 5.779224 | .03857240 |
| 6 | 4p | 13.296111 | -.00280080 |
| 7 | 5p | 1.219568 | .27182971 |
| 8 | 5p | 28.940866 | -.00037666 |
| 9 | 4p | 43.941306 | -.00007878 |
| ORB.ENERGY,a.u. | -.893490 | ||
| NORM | .999999 | < R > | 4.028265 | < R2 > | 18.288546 | < 1/R > | .330998 | < 1/R**2 > | .268018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.025823 | 1.35295427 |
| 2 | 3p | 5.339467 | -.43469221 |
| 3 | 4p | 6.754506 | .08322120 |
| 4 | 5p | 1.554815 | .05539916 |
| 5 | 4p | 1.576052 | -.04036940 |
| 6 | 5p | 21.743323 | -.00050591 |
| 7 | 3p | 13.538118 | -.00330357 |
| 8 | 3p | .836612 | .00277175 |
| 9 | 4p | 65.771381 | .00000759 |
| ORB.ENERGY,a.u. | -5.937400 | ||
| NORM | 1.000000 | < R > | .609951 | < R2 > | .461794 | < 1/R > | 2.098286 | < 1/R**2 > | 6.037047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.004483 | .36316564 |
| 2 | 2s | 4.422566 | -.82550386 |
| 3 | 3s | 4.504661 | -.26822510 |
| 4 | 4s | 17.770928 | .00278005 |
| 5 | 3s | 10.772519 | .01816201 |
| 6 | 5s | 4.480151 | -.04295860 |
| 7 | 4s | 1.028757 | .00012859 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680299 | < R2 > | .544756 | < 1/R > | 2.133313 | < 1/R**2 > | 18.525065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125500 | .89378263 |
| 2 | 1s | 15.380328 | .10662880 |
| 3 | 2s | 9.523194 | .01808781 |
| 4 | 3s | 11.704721 | -.01494231 |
| 5 | 5s | 26.573366 | .00131843 |
| 6 | 4s | 66.694500 | -.00003455 |
| 7 | 5s | 8.646030 | .00093643 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637034 | < 1/R**2 > | 228.500346 |
Total Energy= -149.68313300 a.u.
Kinetic Energy= 149.66386890 a.u.
Potential Energy= -299.34700189 a.u.
Virial Ratio = -2.00012872