(1s 2 2s 2 2p 4 4s 1 ) 2 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2140.
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 | 4s- electron | |
| 1 | 1s | 9.417862 | .01570787 |
| 2 | 2s | .631007 | -.39101068 |
| 3 | 3s | .779918 | 1.14012920 |
| 4 | 4s | .395827 | -1.11886457 |
| 5 | 5s | 1.172056 | -.19514490 |
| 6 | 4s | 4.358424 | -.03414083 |
| 7 | 5s | 7.989072 | -.01654932 |
| 8 | 4s | 10.238167 | -.00936181 |
| 9 | 5s | 26.798353 | -.00002516 |
| 10 | 5s | .232306 | -.00262800 |
| 11 | 2s | 19.241166 | .00027851 |
| ORB.ENERGY,a.u. | -.063967 | ||
| NORM | 1.000000 | < R > | 11.802798 | < R2 > | 157.768926 | < 1/R > | .111580 | < 1/R**2 > | .064319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.208885 | .67417091 |
| 2 | 2p | 3.943251 | .31816028 |
| 3 | 2p | 9.715027 | .01629494 |
| 4 | 3p | 1.534597 | .05718391 |
| 5 | 4p | 9.469239 | .01360268 |
| 6 | 4p | .943597 | -.04068850 |
| 7 | 3p | 12.542396 | .00304988 |
| 8 | 5p | 1.047179 | .03232825 |
| ORB.ENERGY,a.u. | -1.075800 | ||
| NORM | 1.000000 | < R > | .970428 | < R2 > | 1.196879 | < 1/R > | 1.377259 | < 1/R**2 > | 2.730262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.539469 | .29970967 |
| 2 | 2s | 3.209340 | -.85138115 |
| 3 | 3s | 2.184824 | -.34887298 |
| 4 | 4s | 16.772065 | .00696094 |
| 5 | 5s | 13.089971 | .01106965 |
| 6 | 5s | 2.544073 | .09302961 |
| 7 | 4s | .399028 | -.00569962 |
| 8 | 3s | 22.817812 | .00061777 |
| 9 | 3s | .766122 | .00329616 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960426 | < R2 > | 1.110141 | < 1/R > | 1.504100 | < 1/R**2 > | 9.304091 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.242700 | .87330115 |
| 2 | 1s | 12.252408 | .12001979 |
| 3 | 1s | 8.508229 | .00180750 |
| 4 | 2s | 6.367108 | .01748698 |
| 5 | 3s | 9.202931 | -.00692972 |
| 6 | 4s | 16.807932 | .00365618 |
| 7 | 5s | 61.702062 | -.00001854 |
| 8 | 5s | 4.957733 | .00074825 |
| 9 | 5s | .364230 | .00016939 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175671 | < R2 > | .041571 | < 1/R > | 8.632417 | < 1/R**2 > | 150.886318 |
Total Energy= -98.89687602 a.u.
Kinetic Energy= 98.89565891 a.u.
Potential Energy= -197.79253493 a.u.
Virial Ratio = -2.00001231