(1s 2 2s 2 2p 4 3p 1 ) 4 S F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4031.
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 | 2p | 14.909731 | .00011798 |
| 2 | 3p | .600943 | -.80233468 |
| 3 | 2p | 1.836784 | .06514001 |
| 4 | 2p | 4.411059 | .03932131 |
| 5 | 4p | 4.482521 | .01106757 |
| 6 | 5p | .575522 | -.21773541 |
| 7 | 5p | 16.213595 | -.00011325 |
| 8 | 3p | .363663 | -.03468762 |
| ORB.ENERGY,a.u. | -.099745 | ||
| NORM | 1.000000 | < R > | 6.645100 | < R2 > | 50.985569 | < 1/R > | .183085 | < 1/R**2 > | .059077 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.207615 | .66804987 |
| 2 | 2p | 3.907717 | .31958889 |
| 3 | 2p | 9.814432 | .01664794 |
| 4 | 3p | 1.529244 | .06339789 |
| 5 | 4p | 9.270977 | .01583483 |
| 6 | 4p | 1.422306 | -.01614620 |
| 7 | 3p | 12.053161 | .00437864 |
| 8 | 5p | .607444 | -.00123748 |
| 9 | 5p | 29.841992 | -.00003737 |
| ORB.ENERGY,a.u. | -.967360 | ||
| NORM | 1.000000 | < R > | .969472 | < R2 > | 1.193803 | < 1/R > | 1.378027 | < 1/R**2 > | 2.732570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.480066 | .30299021 |
| 2 | 2s | 3.287921 | -.83809194 |
| 3 | 3s | 2.600383 | -.32075363 |
| 4 | 4s | 4.891714 | .03043040 |
| 5 | 3s | 8.665450 | .02773669 |
| 6 | 5s | 19.459218 | .00072612 |
| 7 | 5s | 2.143752 | -.00441051 |
| 8 | 2s | 51.439343 | .00000668 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961470 | < R2 > | 1.110063 | < 1/R > | 1.502566 | < 1/R**2 > | 9.287259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231577 | .87207403 |
| 2 | 1s | 12.230310 | .12117633 |
| 3 | 1s | 9.869164 | .00258184 |
| 4 | 2s | 5.991632 | .01821707 |
| 5 | 3s | 8.179088 | -.00760428 |
| 6 | 4s | 17.143519 | .00291575 |
| 7 | 5s | 51.461238 | -.00004241 |
| 8 | 5s | 4.164532 | .00043766 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175673 | < R2 > | .041565 | < 1/R > | 8.632334 | < 1/R**2 > | 150.884185 |
Total Energy= -98.93507161 a.u.
Kinetic Energy= 98.93145778 a.u.
Potential Energy= -197.86652940 a.u.
Virial Ratio = -2.00003653