(1s 2 2s 2 2p 2 5p 1 ) 4 P S 9+
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 | 4.499384 | .34853188 |
| 2 | 3p | 2.404918 | -3.33327345 |
| 3 | 4p | 2.162300 | 7.86034809 |
| 4 | 5p | 2.099653 | -5.46372098 |
| 5 | 2p | 9.299662 | .05237940 |
| 6 | 5p | 31.937318 | -.00057732 |
| 7 | 4p | 48.114565 | -.00011619 |
| 8 | 5p | 1.686509 | -.03002382 |
| ORB.ENERGY,a.u. | -2.159500 | ||
| NORM | 1.000004 | < R > | 3.383377 | < R2 > | 12.872080 | < 1/R > | .426929 | < 1/R**2 > | .643832 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.311000 | 1.13929128 |
| 2 | 3p | 7.455463 | -.16058962 |
| 3 | 2p | 15.174894 | .02046453 |
| 4 | 4p | 16.537738 | .00467180 |
| 5 | 5p | 35.255584 | -.00025612 |
| 6 | 5p | 1.303345 | .00009750 |
| 7 | 4p | 6.091859 | -.00225951 |
| ORB.ENERGY,a.u. | -18.145000 | ||
| NORM | 1.000000 | < R > | .378176 | < R2 > | .173556 | < 1/R > | 3.352475 | < 1/R**2 > | 15.261444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.625260 | .42187997 |
| 2 | 2s | 6.969643 | -.86289981 |
| 3 | 3s | 7.116017 | -.28390782 |
| 4 | 4s | 26.898094 | .00205345 |
| 5 | 3s | 14.894892 | .01724925 |
| 6 | 5s | 7.162946 | -.02225044 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433318 | < R2 > | .220042 | < 1/R > | 3.384101 | < 1/R**2 > | 46.471281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.111751 | .92673008 |
| 2 | 1s | 23.114076 | .07200698 |
| 3 | 2s | 14.108507 | .01948805 |
| 4 | 3s | 17.756219 | -.01558656 |
| 5 | 5s | 37.634669 | .00090241 |
| 6 | 4s | 89.394074 | -.00003635 |
| 7 | 5s | 11.935756 | .00035186 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096564 | < R2 > | .012499 | < 1/R > | 15.626138 | < 1/R**2 > | 491.709606 |
Total Energy= -337.08081322 a.u.
Kinetic Energy= 337.08679967 a.u.
Potential Energy= -674.16761289 a.u.
Virial Ratio = -1.99998224