(1s 2 2s 2 2p 4 4p 1 ) 4 D P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 7.107717 | .19278109 |
| 2 | 3p | 1.451869 | 1.95417545 |
| 3 | 4p | 2.899593 | -1.42700205 |
| 4 | 5p | 5.186611 | -.16352423 |
| 5 | 3p | 13.619648 | -.00371478 |
| 6 | 5p | 1.588753 | -.42743820 |
| 7 | 4p | 1.769478 | .29478957 |
| 8 | 3p | .938964 | .01280856 |
| 9 | 4p | 30.333885 | -.00007448 |
| ORB.ENERGY,a.u. | -1.812300 | ||
| NORM | .999999 | < R > | 2.776302 | < R2 > | 8.716338 | < 1/R > | .507674 | < 1/R**2 > | .754404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.137663 | 1.17907401 |
| 2 | 3p | 5.974346 | -.24849839 |
| 3 | 2p | 11.594059 | .06587291 |
| 4 | 4p | 13.568588 | .01245224 |
| 5 | 5p | 34.922824 | -.00012032 |
| 6 | 5p | 1.718977 | -.00036183 |
| ORB.ENERGY,a.u. | -10.815000 | ||
| NORM | 1.000000 | < R > | .441234 | < R2 > | .238948 | < 1/R > | 2.911620 | < 1/R**2 > | 11.685546 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.049988 | .38553413 |
| 2 | 2s | 6.253408 | -.84613292 |
| 3 | 3s | 5.691632 | -.29791579 |
| 4 | 4s | 16.757955 | .00667452 |
| 5 | 3s | 18.100888 | .00775267 |
| 6 | 5s | 33.075586 | .00053438 |
| 7 | 5s | 4.736010 | -.00432955 |
| 8 | 4s | 3.277131 | .00172782 |
| 9 | 2s | 78.558544 | .00000682 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489882 | < R2 > | .282844 | < 1/R > | 2.981743 | < 1/R**2 > | 36.368823 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210063 | .92302961 |
| 2 | 1s | 20.950094 | .07344285 |
| 3 | 2s | 8.806067 | .02035766 |
| 4 | 3s | 10.760069 | -.02034781 |
| 5 | 4s | 13.279411 | .00950860 |
| 6 | 5s | 36.013632 | .00080921 |
| 7 | 4s | 82.082553 | -.00003751 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103545 | < R2 > | .014398 | < 1/R > | 14.596211 | < 1/R**2 > | 429.633049 |
Total Energy= -318.49038860 a.u.
Kinetic Energy= 318.49914196 a.u.
Potential Energy= -636.98953056 a.u.
Virial Ratio = -1.99997252