(1s 2 2s 2 2p 4 5p 1 ) 4 P F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 5p- electron | |
| 1 | 2p | 2.372752 | .04040921 |
| 2 | 3p | .653956 | -.34615630 |
| 3 | 4p | .246915 | .72467016 |
| 4 | 5p | .246540 | -2.00253613 |
| 5 | 2p | 5.095047 | .01178487 |
| 6 | 5p | 6.979440 | .00172215 |
| 7 | 5p | .387102 | .95680181 |
| 8 | 3p | 10.969945 | -.00025043 |
| ORB.ENERGY,a.u. | -.028732 | ||
| NORM | .999998 | < R > | 25.211548 | < R2 > | 717.080841 | < 1/R > | .055708 | < 1/R**2 > | .011835 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.682507 | .67184207 |
| 2 | 2p | 5.852720 | .13981131 |
| 3 | 3p | 2.074461 | .22080634 |
| 4 | 4p | 6.071431 | .05718676 |
| 5 | 5p | 11.295258 | .00392747 |
| 6 | 3p | 5.414810 | .00109030 |
| 7 | 5p | 1.130007 | .00084571 |
| 8 | 4p | .370243 | -.00122888 |
| 9 | 3p | .151852 | .00135374 |
| ORB.ENERGY,a.u. | -1.147900 | ||
| NORM | 1.000000 | < R > | .970184 | < R2 > | 1.196976 | < 1/R > | 1.377593 | < 1/R**2 > | 2.731438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.470787 | .30369052 |
| 2 | 2s | 3.286090 | -.83850413 |
| 3 | 3s | 2.608070 | -.31937441 |
| 4 | 4s | 4.869942 | .03088631 |
| 5 | 3s | 8.617588 | .02675661 |
| 6 | 5s | 18.415066 | .00087732 |
| 7 | 5s | 2.294654 | -.00549683 |
| 8 | 3s | 30.536240 | -.00006895 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961010 | < R2 > | 1.108853 | < 1/R > | 1.503229 | < 1/R**2 > | 9.294926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.234518 | .87167251 |
| 2 | 1s | 12.237631 | .12093808 |
| 3 | 1s | 8.884755 | .00318240 |
| 4 | 2s | 5.999922 | .01817956 |
| 5 | 3s | 8.219733 | -.00754293 |
| 6 | 4s | 17.093829 | .00293943 |
| 7 | 5s | 52.215716 | -.00004114 |
| 8 | 5s | 4.136537 | .00043749 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175670 | < R2 > | .041563 | < 1/R > | 8.632430 | < 1/R**2 > | 150.886752 |
Total Energy= -98.85966600 a.u.
Kinetic Energy= 98.86044918 a.u.
Potential Energy= -197.72011518 a.u.
Virial Ratio = -1.99999208